1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine

C14H10BrCl2F2N — CID 107476135

IUPAC1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(Cl)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H10BrCl2F2N/c1-20-14(7-2-3-9(15)11(17)4-7)8-5-12(18)13(19)6-10(8)16/h2-6,14,20H,1H3
InChIKeyGXJCKKVTLPAVNM-UHFFFAOYSA-N
MW381.05 g/mol
LogP5.34
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine

1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine (PubChem CID 107476135) has the molecular formula C14H10BrCl2F2N and a molecular weight of 381.05 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine
PubChem CID107476135
Molecular FormulaC14H10BrCl2F2N
Molecular Weight381.05 g/mol
Exact Mass378.93
IUPAC Name1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(Cl)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H10BrCl2F2N/c1-20-14(7-2-3-9(15)11(17)4-7)8-5-12(18)13(19)6-10(8)16/h2-6,14,20H,1H3
InChIKeyGXJCKKVTLPAVNM-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.05
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine 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

1-(4-bromo-3-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 81291376
1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682
1-(4-bromo-3-chlorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877683
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302453
1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81290766
1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797356
1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107476154
1-(4-bromo-3-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 81290742
1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397275
N-[(4-bromo-3-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methyl]ethanamine
CID 81291036
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130690836

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine (CID 107476135) is 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine is CNC(c1ccc(Br)c(Cl)c1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is GXJCKKVTLPAVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F2N/c1-20-14(7-2-3-9(15)11(17)4-7)8-5-12(18)13(19)6-10(8)16/h2-6,14,20H,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine?
1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 381.05 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 107476135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).