(S)-(4-chlorophenyl)-phenylmethanamine

C13H12ClN — CID 736032

IUPAC(S)-(4-chlorophenyl)-phenylmethanamine
SMILESN[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m0/s1
InChIKeyXAFODXGEQUOEKN-ZDUSSCGKSA-N
MW217.70 g/mol
LogP3.39
Rot. Bonds2

About (S)-(4-chlorophenyl)-phenylmethanamine

(S)-(4-chlorophenyl)-phenylmethanamine (PubChem CID 736032) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is (S)-(4-chlorophenyl)-phenylmethanamine.

Molecular Properties

Compound Name(S)-(4-chlorophenyl)-phenylmethanamine
PubChem CID736032
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name(S)-(4-chlorophenyl)-phenylmethanamine
SMILESN[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m0/s1
InChIKeyXAFODXGEQUOEKN-ZDUSSCGKSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorphentermine
CID 10007
p-Chloroamphetamine
CID 3127
Benzhydrylamine
CID 7036
4-Chlorobenzylamine
CID 66036
Benzenemethanamine, 4-chloro-N-methyl-
CID 66905
Benzenemethanamine, 3-chloro-
CID 77802
p-Chloroamphetamine hydrochloride
CID 107161
1,2-Diphenylethylamine
CID 26482
2-(4-Chlorophenyl)ethylamine
CID 67430
2-Chlorobenzylamine
CID 66648
(S)-(-)-1-(4-chlorophenyl)ethylamine
CID 1550852
1-(2,4-Dichlorophenyl)Ethylamine
CID 2771858

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chlorophenyl)-phenylmethanamine?
The IUPAC name of (S)-(4-chlorophenyl)-phenylmethanamine (CID 736032) is (S)-(4-chlorophenyl)-phenylmethanamine.
What is the SMILES notation for (S)-(4-chlorophenyl)-phenylmethanamine?
The canonical SMILES for (S)-(4-chlorophenyl)-phenylmethanamine is N[C@@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (S)-(4-chlorophenyl)-phenylmethanamine?
The InChIKey is XAFODXGEQUOEKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m0/s1.
What are the key properties of (S)-(4-chlorophenyl)-phenylmethanamine?
(S)-(4-chlorophenyl)-phenylmethanamine has a molecular weight of 217.70 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chlorophenyl)-phenylmethanamine is sourced from PubChem (CID 736032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).