N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine

C24H31NO — CID 150436491

IUPACN-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine
SMILESCCC(CC=Cc1ccccc1)(c1ccc(OC)cc1)N(C)CC1CC1
InChIInChI=1S/C24H31NO/c1-4-24(25(2)19-21-12-13-21,22-14-16-23(26-3)17-15-22)18-8-11-20-9-6-5-7-10-20/h5-11,14-17,21H,4,12-13,18-19H2,1-3H3
InChIKeyHKWJYANVCMFSJC-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.75
Rot. Bonds9

About N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine

N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine (PubChem CID 150436491) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine
PubChem CID150436491
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC NameN-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine
SMILESCCC(CC=Cc1ccccc1)(c1ccc(OC)cc1)N(C)CC1CC1
InChIInChI=1S/C24H31NO/c1-4-24(25(2)19-21-12-13-21,22-14-16-23(26-3)17-15-22)18-8-11-20-9-6-5-7-10-20/h5-11,14-17,21H,4,12-13,18-19H2,1-3H3
InChIKeyHKWJYANVCMFSJC-UHFFFAOYSA-N
XLogP5.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[3-(2-methylphenyl)-6-phenylhex-5-en-3-yl]cyclopropanamine;hydrochloride
CID 139686986
N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3346658
N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine
CID 67942350
(1,1-dimethoxy-4-phenylbut-3-enyl)silane
CID 174155985
4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 42696245
methyl (E,2S)-2-(N-ethyl-4-methoxyanilino)-2-(4-fluorophenyl)-5-phenylpent-4-enoate
CID 134949704
4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline
CID 154621294
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
ethyl (E,2S)-2-amino-2-benzyl-5-(4-methoxyphenyl)pent-4-enoate
CID 146162567
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530
[(E)-2-methyl-5-phenylpent-4-en-2-yl]benzene
CID 5370792

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine (CID 150436491) is N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine is CCC(CC=Cc1ccccc1)(c1ccc(OC)cc1)N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine?
The InChIKey is HKWJYANVCMFSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-4-24(25(2)19-21-12-13-21,22-14-16-23(26-3)17-15-22)18-8-11-20-9-6-5-7-10-20/h5-11,14-17,21H,4,12-13,18-19H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine?
N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine has a molecular weight of 349.52 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine is sourced from PubChem (CID 150436491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).