N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine

C17H19BrClNO — CID 107991862

IUPACN-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C17H19BrClNO/c1-3-9-20-17(12-5-4-6-14(10-12)21-2)15-8-7-13(19)11-16(15)18/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeySUJWTYWRDAIAOF-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.20
Rot. Bonds6

About N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine

N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 107991862) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
PubChem CID107991862
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C17H19BrClNO/c1-3-9-20-17(12-5-4-6-14(10-12)21-2)15-8-7-13(19)11-16(15)18/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeySUJWTYWRDAIAOF-UHFFFAOYSA-N
XLogP5.20
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 ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-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

N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107945231
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785590
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831680
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107993607

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine (CID 107991862) is N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1)c1ccc(Cl)cc1Br.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is SUJWTYWRDAIAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-3-9-20-17(12-5-4-6-14(10-12)21-2)15-8-7-13(19)11-16(15)18/h4-8,10-11,17,20H,3,9H2,1-2H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 368.70 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107991862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).