N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine

C10H12BrClFN — CID 63386609

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine
SMILESCN(CCCl)Cc1ccc(Br)cc1F
InChIInChI=1S/C10H12BrClFN/c1-14(5-4-12)7-8-2-3-9(11)6-10(8)13/h2-3,6H,4-5,7H2,1H3
InChIKeyHVHYNFQYLQGHRS-UHFFFAOYSA-N
MW280.57 g/mol
LogP3.26
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine

N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine (PubChem CID 63386609) has the molecular formula C10H12BrClFN and a molecular weight of 280.57 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine
PubChem CID63386609
Molecular FormulaC10H12BrClFN
Molecular Weight280.57 g/mol
Exact Mass278.98
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine
SMILESCN(CCCl)Cc1ccc(Br)cc1F
InChIInChI=1S/C10H12BrClFN/c1-14(5-4-12)7-8-2-3-9(11)6-10(8)13/h2-3,6H,4-5,7H2,1H3
InChIKeyHVHYNFQYLQGHRS-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.57
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine 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

methyl 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetate
CID 60670448
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79038374
N'-[(4-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 54989593
4-[[(4-bromo-2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 43458293
3-[(4-bromo-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103722519
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60646293
N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664532
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylaniline
CID 115214767
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55173452
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374438
N'-[(4-bromo-2-fluorophenyl)methyl]-N'-butylethane-1,2-diamine
CID 55003142

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine (CID 63386609) is N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine is CN(CCCl)Cc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine?
The InChIKey is HVHYNFQYLQGHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClFN/c1-14(5-4-12)7-8-2-3-9(11)6-10(8)13/h2-3,6H,4-5,7H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine?
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine has a molecular weight of 280.57 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine is sourced from PubChem (CID 63386609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).