(Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine

C20H24N2O — CID 10968854

IUPAC(Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine
SMILESCCCC/N=C(/C=C(\N)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-3-4-14-22-20(17-8-6-5-7-9-17)15-19(21)16-10-12-18(23-2)13-11-16/h5-13,15H,3-4,14,21H2,1-2H3/b19-15-,22-20-
InChIKeyZQZXZEKVFCXYLC-ZEVAXPHDSA-N
MW308.43 g/mol
LogP4.28
Rot. Bonds7

About (Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine

(Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine (PubChem CID 10968854) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine
PubChem CID10968854
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine
SMILESCCCC/N=C(/C=C(\N)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-3-4-14-22-20(17-8-6-5-7-9-17)15-19(21)16-10-12-18(23-2)13-11-16/h5-13,15H,3-4,14,21H2,1-2H3/b19-15-,22-20-
InChIKeyZQZXZEKVFCXYLC-ZEVAXPHDSA-N
XLogP4.28
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine
CID 11000397
N-[(E)-4-butylimino-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]-4-methoxyaniline
CID 177447046
N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide
CID 525616
ethyl N-butylbenzenecarboximidate
CID 19093178
S-phenyl (Z)-3-amino-3-(4-methoxyphenyl)prop-2-enethioate
CID 102048729
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
(Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine
CID 134372561
4-methoxy-N,N-dimethyl-N'-nonylbenzenecarboximidamide
CID 525636
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881

Frequently Asked Questions

What is the IUPAC name of (Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine?
The IUPAC name of (Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine (CID 10968854) is (Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine is CCCC/N=C(/C=C(\N)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine?
The InChIKey is ZQZXZEKVFCXYLC-ZEVAXPHDSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-4-14-22-20(17-8-6-5-7-9-17)15-19(21)16-10-12-18(23-2)13-11-16/h5-13,15H,3-4,14,21H2,1-2H3/b19-15-,22-20-.
What are the key properties of (Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine?
(Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine is sourced from PubChem (CID 10968854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).