(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine

C15H15ClFN — CID 64713808

IUPAC(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2cccc(Cl)c2F)c1C
InChIInChI=1S/C15H15ClFN/c1-9-5-3-6-11(10(9)2)15(18)12-7-4-8-13(16)14(12)17/h3-8,15H,18H2,1-2H3
InChIKeyGOUSQWCYDJYPBW-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.14
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine

(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine (PubChem CID 64713808) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
PubChem CID64713808
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2cccc(Cl)c2F)c1C
InChIInChI=1S/C15H15ClFN/c1-9-5-3-6-11(10(9)2)15(18)12-7-4-8-13(16)14(12)17/h3-8,15H,18H2,1-2H3
InChIKeyGOUSQWCYDJYPBW-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 64712292
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 79988148
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 64713791
(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430281
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol
CID 82803178

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine (CID 64713808) is (3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine is Cc1cccc(C(N)c2cccc(Cl)c2F)c1C.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine?
The InChIKey is GOUSQWCYDJYPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-9-5-3-6-11(10(9)2)15(18)12-7-4-8-13(16)14(12)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine?
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine has a molecular weight of 263.74 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 64713808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).