1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine

C17H19BrClNO — CID 115567259

IUPAC1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cccc(OC(C)C)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H19BrClNO/c1-11(2)21-14-6-4-5-12(9-14)17(20-3)13-7-8-16(19)15(18)10-13/h4-11,17,20H,1-3H3
InChIKeyAQVNYWOXJJOZKU-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.20
Rot. Bonds5

About 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine

1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 115567259) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
PubChem CID115567259
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cccc(OC(C)C)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H19BrClNO/c1-11(2)21-14-6-4-5-12(9-14)17(20-3)13-7-8-16(19)15(18)10-13/h4-11,17,20H,1-3H3
InChIKeyAQVNYWOXJJOZKU-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine 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-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019086
1-(2,6-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019039
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 115567213
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
1-(2-chloro-3-methylphenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019002
1-(4-bromo-3-chlorophenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027547
1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105171386
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 82790188
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 107993056
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 103406915
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(4-bromo-5-chlorothiophen-2-yl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 102828345

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine (CID 115567259) is 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine is CNC(c1cccc(OC(C)C)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is AQVNYWOXJJOZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-11(2)21-14-6-4-5-12(9-14)17(20-3)13-7-8-16(19)15(18)10-13/h4-11,17,20H,1-3H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine?
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 368.70 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 115567259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).