(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine

C14H11ClF3N — CID 107513399

IUPAC(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc(Cl)c2F)c(F)c1F
InChIInChI=1S/C14H11ClF3N/c1-7-5-6-9(13(18)11(7)16)14(19)8-3-2-4-10(15)12(8)17/h2-6,14H,19H2,1H3
InChIKeyLXQPFIRQFNGULM-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.11
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine

(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine (PubChem CID 107513399) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
PubChem CID107513399
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc(Cl)c2F)c(F)c1F
InChIInChI=1S/C14H11ClF3N/c1-7-5-6-9(13(18)11(7)16)14(19)8-3-2-4-10(15)12(8)17/h2-6,14H,19H2,1H3
InChIKeyLXQPFIRQFNGULM-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 64712292
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 79988148
(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430281
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 64713791
[(2,3-dichlorophenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516587
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine (CID 107513399) is (3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2cccc(Cl)c2F)c(F)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
The InChIKey is LXQPFIRQFNGULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-7-5-6-9(13(18)11(7)16)14(19)8-3-2-4-10(15)12(8)17/h2-6,14H,19H2,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine has a molecular weight of 285.70 g/mol, XLogP of 4.11, 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-difluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 107513399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).