(E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine

C21H27NO — CID 174439644

IUPAC(E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine
SMILESCCCC(/C(=C\c1ccccc1)N(C)C)c1cccc(OC)c1
InChIInChI=1S/C21H27NO/c1-5-10-20(18-13-9-14-19(16-18)23-4)21(22(2)3)15-17-11-7-6-8-12-17/h6-9,11-16,20H,5,10H2,1-4H3/b21-15+
InChIKeyNGWVJHIXEZRGSB-RCCKNPSSSA-N
MW309.45 g/mol
LogP5.18
Rot. Bonds7

About (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine

(E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine (PubChem CID 174439644) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine
PubChem CID174439644
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine
SMILESCCCC(/C(=C\c1ccccc1)N(C)C)c1cccc(OC)c1
InChIInChI=1S/C21H27NO/c1-5-10-20(18-13-9-14-19(16-18)23-4)21(22(2)3)15-17-11-7-6-8-12-17/h6-9,11-16,20H,5,10H2,1-4H3/b21-15+
InChIKeyNGWVJHIXEZRGSB-RCCKNPSSSA-N
XLogP5.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 66895858
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837
N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331
ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
CID 91197048
1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene
CID 173290685
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine (CID 174439644) is (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine is CCCC(/C(=C\c1ccccc1)N(C)C)c1cccc(OC)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine?
The InChIKey is NGWVJHIXEZRGSB-RCCKNPSSSA-N. The full InChI is InChI=1S/C21H27NO/c1-5-10-20(18-13-9-14-19(16-18)23-4)21(22(2)3)15-17-11-7-6-8-12-17/h6-9,11-16,20H,5,10H2,1-4H3/b21-15+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine?
(E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine has a molecular weight of 309.45 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N,N-dimethyl-1-phenylhex-1-en-2-amine is sourced from PubChem (CID 174439644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).