N-methyl-1,4-diphenylbut-3-en-1-amine

C17H19N — CID 54080999

IUPACN-methyl-1,4-diphenylbut-3-en-1-amine
SMILESCNC(CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-18-17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-13,17-18H,14H2,1H3
InChIKeyMNCLNEXPBAJCPU-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.05
Rot. Bonds5

About N-methyl-1,4-diphenylbut-3-en-1-amine

N-methyl-1,4-diphenylbut-3-en-1-amine (PubChem CID 54080999) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1,4-diphenylbut-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1,4-diphenylbut-3-en-1-amine
PubChem CID54080999
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-methyl-1,4-diphenylbut-3-en-1-amine
SMILESCNC(CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-18-17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-13,17-18H,14H2,1H3
InChIKeyMNCLNEXPBAJCPU-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate
CID 148820696
[(E)-1-chloro-4-phenylbut-3-enyl]benzene
CID 13252853
4-chloropent-1-enylbenzene
CID 66808272
(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine
CID 59058683
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
(E)-5-phenylpent-4-en-2-amine
CID 55254237
N-methyl-1-phenyl-1-(3-phenylprop-2-enoxy)propan-2-amine
CID 67312766
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,4-diphenylbut-3-en-1-amine?
The IUPAC name of N-methyl-1,4-diphenylbut-3-en-1-amine (CID 54080999) is N-methyl-1,4-diphenylbut-3-en-1-amine.
What is the SMILES notation for N-methyl-1,4-diphenylbut-3-en-1-amine?
The canonical SMILES for N-methyl-1,4-diphenylbut-3-en-1-amine is CNC(CC=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-1,4-diphenylbut-3-en-1-amine?
The InChIKey is MNCLNEXPBAJCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-18-17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-13,17-18H,14H2,1H3.
What are the key properties of N-methyl-1,4-diphenylbut-3-en-1-amine?
N-methyl-1,4-diphenylbut-3-en-1-amine has a molecular weight of 237.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,4-diphenylbut-3-en-1-amine is sourced from PubChem (CID 54080999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).