2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine

C18H25BrN2O — CID 158549441

IUPAC2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine
SMILESCOc1ccc(CCN)cc1Br.Cc1cc(C)cc(CN)c1
InChIInChI=1S/C9H12BrNO.C9H13N/c1-12-9-3-2-7(4-5-11)6-8(9)10;1-7-3-8(2)5-9(4-7)6-10/h2-3,6H,4-5,11H2,1H3;3-5H,6,10H2,1-2H3
InChIKeyHPNMMTLUTNYEJT-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.72
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine

2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine (PubChem CID 158549441) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine
PubChem CID158549441
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine
SMILESCOc1ccc(CCN)cc1Br.Cc1cc(C)cc(CN)c1
InChIInChI=1S/C9H12BrNO.C9H13N/c1-12-9-3-2-7(4-5-11)6-8(9)10;1-7-3-8(2)5-9(4-7)6-10/h2-3,6H,4-5,11H2,1H3;3-5H,6,10H2,1-2H3
InChIKeyHPNMMTLUTNYEJT-UHFFFAOYSA-N
XLogP3.72
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)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

(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82120363
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[2-(3-bromo-4-methoxyphenyl)ethyl]guanidine
CID 59851874
[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine
CID 155798142
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
2-[(3-bromo-4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725314
2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
CID 63802463
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]aniline
CID 115212471

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine (CID 158549441) is 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine is COc1ccc(CCN)cc1Br.Cc1cc(C)cc(CN)c1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine?
The InChIKey is HPNMMTLUTNYEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO.C9H13N/c1-12-9-3-2-7(4-5-11)6-8(9)10;1-7-3-8(2)5-9(4-7)6-10/h2-3,6H,4-5,11H2,1H3;3-5H,6,10H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine?
2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine has a molecular weight of 365.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 158549441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).