N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine

C32H42FN2OP — CID 156718008

IUPACN-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine
SMILESC=P(C)(CC)c1cc(CCNC(=CC)c2ccc(OCCC)c(C)c2)nc(-c2ccc(C)c(F)c2)c1C
InChIInChI=1S/C32H42FN2OP/c1-9-18-36-30-15-14-25(19-23(30)5)29(10-2)34-17-16-27-21-31(37(7,8)11-3)24(6)32(35-27)26-13-12-22(4)28(33)20-26/h10,12-15,19-21,34H,7,9,11,16-18H2,1-6,8H3
InChIKeyIPWDKTLHQXURFQ-UHFFFAOYSA-N
MW520.67 g/mol
LogP7.52
Rot. Bonds11

About N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine

N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine (PubChem CID 156718008) has the molecular formula C32H42FN2OP and a molecular weight of 520.67 g/mol. Its IUPAC name is N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine.

Molecular Properties

Compound NameN-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine
PubChem CID156718008
Molecular FormulaC32H42FN2OP
Molecular Weight520.67 g/mol
Exact Mass520.30
IUPAC NameN-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine
SMILESC=P(C)(CC)c1cc(CCNC(=CC)c2ccc(OCCC)c(C)c2)nc(-c2ccc(C)c(F)c2)c1C
InChIInChI=1S/C32H42FN2OP/c1-9-18-36-30-15-14-25(19-23(30)5)29(10-2)34-17-16-27-21-31(37(7,8)11-3)24(6)32(35-27)26-13-12-22(4)28(33)20-26/h10,12-15,19-21,34H,7,9,11,16-18H2,1-6,8H3
InChIKeyIPWDKTLHQXURFQ-UHFFFAOYSA-N
XLogP7.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine with MolForge

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Related Compounds

ethane;N-[[ethyl-[2-(4-fluorophenyl)-3-methyl-6-[2-[[(Z)-1-(8-methylquinolin-6-yl)prop-1-enyl]amino]ethyl]-4-pyridinyl]-methyl-λ5-phosphanylidene]methyl]cyclopentanamine;methanethiol
CID 156718354
2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide
CID 164910611
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide
CID 169402490
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-propoxyphenoxy)acetamide
CID 24553271
1-(4-ethoxy-3-methylphenyl)-N-[2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]ethenamine;ethylbenzene;propane
CID 156718349
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 63486628
4-[4-(2-iodoethoxy)-3-methylphenyl]-3-propoxybenzoic acid
CID 146688577
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 104657035
4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 143190556
2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
CID 21252414

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine?
The IUPAC name of N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine (CID 156718008) is N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine.
What is the SMILES notation for N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine?
The canonical SMILES for N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine is C=P(C)(CC)c1cc(CCNC(=CC)c2ccc(OCCC)c(C)c2)nc(-c2ccc(C)c(F)c2)c1C.
What is the InChIKey of N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine?
The InChIKey is IPWDKTLHQXURFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FN2OP/c1-9-18-36-30-15-14-25(19-23(30)5)29(10-2)34-17-16-27-21-31(37(7,8)11-3)24(6)32(35-27)26-13-12-22(4)28(33)20-26/h10,12-15,19-21,34H,7,9,11,16-18H2,1-6,8H3.
What are the key properties of N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine?
N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine has a molecular weight of 520.67 g/mol, XLogP of 7.52, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethyl-methyl-methylidene-λ5-phosphanyl)-6-(3-fluoro-4-methylphenyl)-5-methyl-2-pyridinyl]ethyl]-1-(3-methyl-4-propoxyphenyl)prop-1-en-1-amine is sourced from PubChem (CID 156718008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).