(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine

C16H17ClFN — CID 104990549

IUPAC(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cccc(F)c2Cl)cc1C
InChIInChI=1S/C16H17ClFN/c1-9-7-11(3)13(8-10(9)2)16(19)12-5-4-6-14(18)15(12)17/h4-8,16H,19H2,1-3H3
InChIKeyJWTWTLGYSXHSDY-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.45
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine

(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 104990549) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID104990549
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cccc(F)c2Cl)cc1C
InChIInChI=1S/C16H17ClFN/c1-9-7-11(3)13(8-10(9)2)16(19)12-5-4-6-14(18)15(12)17/h4-8,16H,19H2,1-3H3
InChIKeyJWTWTLGYSXHSDY-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807096
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454040
(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023063
(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990698
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine (CID 104990549) is (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cccc(F)c2Cl)cc1C.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is JWTWTLGYSXHSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-9-7-11(3)13(8-10(9)2)16(19)12-5-4-6-14(18)15(12)17/h4-8,16H,19H2,1-3H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine?
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 277.77 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 104990549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).