N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine

C19H21FN2 — CID 143605340

IUPACN-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine
SMILESC=CCNC(=C)C1=CC=CN(Cc2ccc(C)c(F)c2)C1=C
InChIInChI=1S/C19H21FN2/c1-5-10-21-15(3)18-7-6-11-22(16(18)4)13-17-9-8-14(2)19(20)12-17/h5-9,11-12,21H,1,3-4,10,13H2,2H3
InChIKeyQDRUOYONALCQAR-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.19
Rot. Bonds6

About N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine

N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine (PubChem CID 143605340) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine
PubChem CID143605340
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC NameN-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine
SMILESC=CCNC(=C)C1=CC=CN(Cc2ccc(C)c(F)c2)C1=C
InChIInChI=1S/C19H21FN2/c1-5-10-21-15(3)18-7-6-11-22(16(18)4)13-17-9-8-14(2)19(20)12-17/h5-9,11-12,21H,1,3-4,10,13H2,2H3
InChIKeyQDRUOYONALCQAR-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773
Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
Ethyl[(3-fluorophenyl)methyl]amine
CID 457578
Benzenemethanamine, 3-fluoro-N-(1-methylethyl)-
CID 457579
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
1-(4-Methylbenzyl)piperazine
CID 764723
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-Ethyl-4-fluorobenzylamine
CID 4716481
1-Benzyl-N-(2-cyclopentylidene-2-fluoroethyl)-4-piperidinamine
CID 23646086
1-Benzyl-N-(2-cyclohexylidene-2-fluoroethyl)-4-piperidinamine
CID 23646098
N-(3-fluorobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 782100

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine?
The IUPAC name of N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine (CID 143605340) is N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine.
What is the SMILES notation for N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine?
The canonical SMILES for N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine is C=CCNC(=C)C1=CC=CN(Cc2ccc(C)c(F)c2)C1=C.
What is the InChIKey of N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine?
The InChIKey is QDRUOYONALCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-5-10-21-15(3)18-7-6-11-22(16(18)4)13-17-9-8-14(2)19(20)12-17/h5-9,11-12,21H,1,3-4,10,13H2,2H3.
What are the key properties of N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine?
N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine has a molecular weight of 296.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine is sourced from PubChem (CID 143605340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).