3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine

C17H20BrNO — CID 83974607

IUPAC3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1C(CN)Cc1ccccc1Br
InChIInChI=1S/C17H20BrNO/c1-12-7-8-17(20-2)15(9-12)14(11-19)10-13-5-3-4-6-16(13)18/h3-9,14H,10-11,19H2,1-2H3
InChIKeyMOIJRYUPCDWSIM-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.05
Rot. Bonds5

About 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine

3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine (PubChem CID 83974607) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
PubChem CID83974607
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1C(CN)Cc1ccccc1Br
InChIInChI=1S/C17H20BrNO/c1-12-7-8-17(20-2)15(9-12)14(11-19)10-13-5-3-4-6-16(13)18/h3-9,14H,10-11,19H2,1-2H3
InChIKeyMOIJRYUPCDWSIM-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)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

2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454
2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790626
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 82141384
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
2-(5-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine
CID 79442687
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974910
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine (CID 83974607) is 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine is COc1ccc(C)cc1C(CN)Cc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
The InChIKey is MOIJRYUPCDWSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-7-8-17(20-2)15(9-12)14(11-19)10-13-5-3-4-6-16(13)18/h3-9,14H,10-11,19H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 83974607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).