[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine

C20H17Cl2NO — CID 176508500

IUPAC[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
SMILESNCc1ccc(-c2cc(Cl)cc(Cl)c2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H17Cl2NO/c21-17-9-16(10-18(22)11-17)19-7-6-15(12-23)8-20(19)24-13-14-4-2-1-3-5-14/h1-11H,12-13,23H2
InChIKeyQEPYSJKGBNHQNA-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.70
Rot. Bonds5

About [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine

[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine (PubChem CID 176508500) has the molecular formula C20H17Cl2NO and a molecular weight of 358.27 g/mol. Its IUPAC name is [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
PubChem CID176508500
Molecular FormulaC20H17Cl2NO
Molecular Weight358.27 g/mol
Exact Mass357.07
IUPAC Name[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
SMILESNCc1ccc(-c2cc(Cl)cc(Cl)c2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H17Cl2NO/c21-17-9-16(10-18(22)11-17)19-7-6-15(12-23)8-20(19)24-13-14-4-2-1-3-5-14/h1-11H,12-13,23H2
InChIKeyQEPYSJKGBNHQNA-UHFFFAOYSA-N
XLogP5.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine 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

[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508497
[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508425
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide
CID 67455707
[4-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508465
2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde
CID 172993959
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869
[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine
CID 172650028
[4-[5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-2H-pyrrol-4-yl]phenyl]methanamine
CID 58913616

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine?
The IUPAC name of [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine (CID 176508500) is [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine.
What is the SMILES notation for [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine?
The canonical SMILES for [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine is NCc1ccc(-c2cc(Cl)cc(Cl)c2)c(OCc2ccccc2)c1.
What is the InChIKey of [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine?
The InChIKey is QEPYSJKGBNHQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO/c21-17-9-16(10-18(22)11-17)19-7-6-15(12-23)8-20(19)24-13-14-4-2-1-3-5-14/h1-11H,12-13,23H2.
What are the key properties of [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine?
[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine has a molecular weight of 358.27 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine is sourced from PubChem (CID 176508500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).