1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine

C14H14BrClN2 — CID 112655450

IUPAC1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccncc2Cl)c(Br)c1
InChIInChI=1S/C14H14BrClN2/c1-9-2-3-11(12(15)6-9)14(17)7-10-4-5-18-8-13(10)16/h2-6,8,14H,7,17H2,1H3
InChIKeyCWTNRDQVEFAJJJ-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.05
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine

1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine (PubChem CID 112655450) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
PubChem CID112655450
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccncc2Cl)c(Br)c1
InChIInChI=1S/C14H14BrClN2/c1-9-2-3-11(12(15)6-9)14(17)7-10-4-5-18-8-13(10)16/h2-6,8,14H,7,17H2,1H3
InChIKeyCWTNRDQVEFAJJJ-UHFFFAOYSA-N
XLogP4.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine 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-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
1-(2-bromo-4-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997439
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
CID 112655906
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 115863331
(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171221659
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine (CID 112655450) is 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine is Cc1ccc(C(N)Cc2ccncc2Cl)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine?
The InChIKey is CWTNRDQVEFAJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-9-2-3-11(12(15)6-9)14(17)7-10-4-5-18-8-13(10)16/h2-6,8,14H,7,17H2,1H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine?
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine has a molecular weight of 325.64 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 112655450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).