(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine

C14H12ClF2N — CID 107476078

IUPAC(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H12ClF2N/c1-8-4-2-3-5-9(8)14(18)10-6-12(16)13(17)7-11(10)15/h2-7,14H,18H2,1H3
InChIKeyUVLZKXSKKZIYJC-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.97
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine

(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine (PubChem CID 107476078) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
PubChem CID107476078
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H12ClF2N/c1-8-4-2-3-5-9(8)14(18)10-6-12(16)13(17)7-11(10)15/h2-7,14H,18H2,1H3
InChIKeyUVLZKXSKKZIYJC-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 107476124
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
1-[bromo-(2-fluoro-3-methylphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477536
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 106851898
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43767888

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine (CID 107476078) is (2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1cc(F)c(F)cc1Cl.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine?
The InChIKey is UVLZKXSKKZIYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-8-4-2-3-5-9(8)14(18)10-6-12(16)13(17)7-11(10)15/h2-7,14H,18H2,1H3.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine?
(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine has a molecular weight of 267.71 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 107476078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).