1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

C17H19BrClNO — CID 115864754

IUPAC1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1cccc(Br)c1Cl
InChIInChI=1S/C17H19BrClNO/c1-20-16(14-4-3-5-15(18)17(14)19)11-8-12-6-9-13(21-2)10-7-12/h3-7,9-10,16,20H,8,11H2,1-2H3
InChIKeySSSHYLLEKJMJHT-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.00
Rot. Bonds6

About 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 115864754) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID115864754
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1cccc(Br)c1Cl
InChIInChI=1S/C17H19BrClNO/c1-20-16(14-4-3-5-15(18)17(14)19)11-8-12-6-9-13(21-2)10-7-12/h3-7,9-10,16,20H,8,11H2,1-2H3
InChIKeySSSHYLLEKJMJHT-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-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

1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864663
1-(3-bromo-2-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055045
1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine
CID 105008942
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
1-(3-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864744
3-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)propan-1-amine
CID 65444758
2,6-dibromo-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107597022

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (CID 115864754) is 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is CNC(CCc1ccc(OC)cc1)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is SSSHYLLEKJMJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-20-16(14-4-3-5-15(18)17(14)19)11-8-12-6-9-13(21-2)10-7-12/h3-7,9-10,16,20H,8,11H2,1-2H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 368.70 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 115864754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).