[5-(3-chlorophenyl)-2-methylphenyl]methanamine

C14H14ClN — CID 115038622

IUPAC[5-(3-chlorophenyl)-2-methylphenyl]methanamine
SMILESCc1ccc(-c2cccc(Cl)c2)cc1CN
InChIInChI=1S/C14H14ClN/c1-10-5-6-12(7-13(10)9-16)11-3-2-4-14(15)8-11/h2-8H,9,16H2,1H3
InChIKeyXMYSBCRHFCXBMR-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.77
Rot. Bonds2

About [5-(3-chlorophenyl)-2-methylphenyl]methanamine

[5-(3-chlorophenyl)-2-methylphenyl]methanamine (PubChem CID 115038622) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-2-methylphenyl]methanamine
PubChem CID115038622
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name[5-(3-chlorophenyl)-2-methylphenyl]methanamine
SMILESCc1ccc(-c2cccc(Cl)c2)cc1CN
InChIInChI=1S/C14H14ClN/c1-10-5-6-12(7-13(10)9-16)11-3-2-4-14(15)8-11/h2-8H,9,16H2,1H3
InChIKeyXMYSBCRHFCXBMR-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine
CID 171919569
[2-methyl-5-(4-methylphenyl)phenyl]methanamine
CID 115027522
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
2-(2-methyl-5-phenylphenyl)ethanamine
CID 115027519
5-(3-chlorophenyl)-2-methylbenzoyl chloride
CID 90329291
4-(3-chlorophenyl)-2-methylfuran
CID 69479564
4-(4-chlorophenyl)-2-ethyl-1-methylbenzene
CID 22968913
[2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
CID 172652279
[2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine
CID 134631487
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
4-(3-chlorophenyl)benzene-1,2-diamine
CID 13007821
[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804270

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-2-methylphenyl]methanamine?
The IUPAC name of [5-(3-chlorophenyl)-2-methylphenyl]methanamine (CID 115038622) is [5-(3-chlorophenyl)-2-methylphenyl]methanamine.
What is the SMILES notation for [5-(3-chlorophenyl)-2-methylphenyl]methanamine?
The canonical SMILES for [5-(3-chlorophenyl)-2-methylphenyl]methanamine is Cc1ccc(-c2cccc(Cl)c2)cc1CN.
What is the InChIKey of [5-(3-chlorophenyl)-2-methylphenyl]methanamine?
The InChIKey is XMYSBCRHFCXBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-10-5-6-12(7-13(10)9-16)11-3-2-4-14(15)8-11/h2-8H,9,16H2,1H3.
What are the key properties of [5-(3-chlorophenyl)-2-methylphenyl]methanamine?
[5-(3-chlorophenyl)-2-methylphenyl]methanamine has a molecular weight of 231.73 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-2-methylphenyl]methanamine is sourced from PubChem (CID 115038622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).