3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine

C18H21BrClNO — CID 170866319

IUPAC3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Br)ccc1OCc1ccccc1Cl
InChIInChI=1S/C18H21BrClNO/c1-21(2)11-5-7-14-12-16(19)9-10-18(14)22-13-15-6-3-4-8-17(15)20/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3
InChIKeyTWEPKPIAJXEYQR-UHFFFAOYSA-N
MW382.73 g/mol
LogP5.18
Rot. Bonds7

About 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine

3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866319) has the molecular formula C18H21BrClNO and a molecular weight of 382.73 g/mol. Its IUPAC name is 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866319
Molecular FormulaC18H21BrClNO
Molecular Weight382.73 g/mol
Exact Mass381.05
IUPAC Name3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Br)ccc1OCc1ccccc1Cl
InChIInChI=1S/C18H21BrClNO/c1-21(2)11-5-7-14-12-16(19)9-10-18(14)22-13-15-6-3-4-8-17(15)20/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3
InChIKeyTWEPKPIAJXEYQR-UHFFFAOYSA-N
XLogP5.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.73
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine 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

3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866451
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866336
3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866339
3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170866064
3-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866403
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716815
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17155854
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
CID 126184009
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332470
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724119
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
CID 107309269

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (CID 170866319) is 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(Br)ccc1OCc1ccccc1Cl.
What is the InChIKey of 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is TWEPKPIAJXEYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClNO/c1-21(2)11-5-7-14-12-16(19)9-10-18(14)22-13-15-6-3-4-8-17(15)20/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3.
What are the key properties of 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 382.73 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).