(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine

C17H12BrClFN — CID 81291033

IUPAC(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1)c1ccc(F)c2ccccc12
InChIInChI=1S/C17H12BrClFN/c18-14-7-5-10(9-15(14)19)17(21)13-6-8-16(20)12-4-2-1-3-11(12)13/h1-9,17H,21H2
InChIKeyHZFSENZBCZTPBH-UHFFFAOYSA-N
MW364.65 g/mol
LogP5.44
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine

(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine (PubChem CID 81291033) has the molecular formula C17H12BrClFN and a molecular weight of 364.65 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
PubChem CID81291033
Molecular FormulaC17H12BrClFN
Molecular Weight364.65 g/mol
Exact Mass362.98
IUPAC Name(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1)c1ccc(F)c2ccccc12
InChIInChI=1S/C17H12BrClFN/c18-14-7-5-10(9-15(14)19)17(21)13-6-8-16(20)12-4-2-1-3-11(12)13/h1-9,17H,21H2
InChIKeyHZFSENZBCZTPBH-UHFFFAOYSA-N
XLogP5.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)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

(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
CID 79589880
(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine
CID 79597450
(4-chloronaphthalen-1-yl)-(4-fluorophenyl)methanamine
CID 79596820
(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
CID 81231315
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
CID 103136517
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 79589918

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine?
The IUPAC name of (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine (CID 81291033) is (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine is NC(c1ccc(Br)c(Cl)c1)c1ccc(F)c2ccccc12.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine?
The InChIKey is HZFSENZBCZTPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClFN/c18-14-7-5-10(9-15(14)19)17(21)13-6-8-16(20)12-4-2-1-3-11(12)13/h1-9,17H,21H2.
What are the key properties of (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine?
(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine has a molecular weight of 364.65 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine is sourced from PubChem (CID 81291033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).