(4-chloro-3-phenylphenyl)methanamine

C13H12ClN — CID 39231703

IUPAC(4-chloro-3-phenylphenyl)methanamine
SMILESNCc1ccc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C13H12ClN/c14-13-7-6-10(9-15)8-12(13)11-4-2-1-3-5-11/h1-8H,9,15H2
InChIKeyOSVRRDBRAMYFNZ-UHFFFAOYSA-N
MW217.70 g/mol
LogP3.47
Rot. Bonds2

About (4-chloro-3-phenylphenyl)methanamine

(4-chloro-3-phenylphenyl)methanamine (PubChem CID 39231703) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is (4-chloro-3-phenylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-phenylphenyl)methanamine
PubChem CID39231703
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name(4-chloro-3-phenylphenyl)methanamine
SMILESNCc1ccc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C13H12ClN/c14-13-7-6-10(9-15)8-12(13)11-4-2-1-3-5-11/h1-8H,9,15H2
InChIKeyOSVRRDBRAMYFNZ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-diphenylphenyl)methanamine
CID 174401792
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine
CID 39233059
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
3-[4-[4-(aminomethyl)phenyl]phenyl]-4-chlorobenzoic acid
CID 68551105
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
CID 115045738
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681
1,2,4-trichloro-5-phenylbenzene
CID 27514
[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
CID 58524219

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-phenylphenyl)methanamine?
The IUPAC name of (4-chloro-3-phenylphenyl)methanamine (CID 39231703) is (4-chloro-3-phenylphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-phenylphenyl)methanamine?
The canonical SMILES for (4-chloro-3-phenylphenyl)methanamine is NCc1ccc(Cl)c(-c2ccccc2)c1.
What is the InChIKey of (4-chloro-3-phenylphenyl)methanamine?
The InChIKey is OSVRRDBRAMYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c14-13-7-6-10(9-15)8-12(13)11-4-2-1-3-5-11/h1-8H,9,15H2.
What are the key properties of (4-chloro-3-phenylphenyl)methanamine?
(4-chloro-3-phenylphenyl)methanamine has a molecular weight of 217.70 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-phenylphenyl)methanamine is sourced from PubChem (CID 39231703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).