1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine

C17H20BrNO2 — CID 103522997

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2cccc(C)c2)c(OC)c1Br
InChIInChI=1S/C17H20BrNO2/c1-11-6-5-7-12(10-11)17(2,19)13-8-9-14(20-3)15(18)16(13)21-4/h5-10H,19H2,1-4H3
InChIKeyGZDARFQMYHPNGV-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.00
Rot. Bonds4

About 1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine

1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine (PubChem CID 103522997) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
PubChem CID103522997
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2cccc(C)c2)c(OC)c1Br
InChIInChI=1S/C17H20BrNO2/c1-11-6-5-7-12(10-11)17(2,19)13-8-9-14(20-3)15(18)16(13)21-4/h5-10H,19H2,1-4H3
InChIKeyGZDARFQMYHPNGV-UHFFFAOYSA-N
XLogP4.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
CID 103523005
1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine
CID 79595390
2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine
CID 103523035
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 103524210
1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine
CID 62788866
4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
CID 103522937
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
CID 103522810
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine
CID 117465358
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)-3,3,3-trifluoropropanoic acid
CID 103523841
2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene
CID 143390166
1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine
CID 21018722

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine (CID 103522997) is 1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine is COc1ccc(C(C)(N)c2cccc(C)c2)c(OC)c1Br.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is GZDARFQMYHPNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-6-5-7-12(10-11)17(2,19)13-8-9-14(20-3)15(18)16(13)21-4/h5-10H,19H2,1-4H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine?
1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 103522997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).