1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine

C16H18BrNO — CID 55067613

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2cccc(C)c2)c1
InChIInChI=1S/C16H18BrNO/c1-11-4-3-5-12(8-11)9-16(18)14-10-13(19-2)6-7-15(14)17/h3-8,10,16H,9,18H2,1-2H3
InChIKeyDQQGDKZKARAOLJ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.01
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine

1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine (PubChem CID 55067613) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine
PubChem CID55067613
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2cccc(C)c2)c1
InChIInChI=1S/C16H18BrNO/c1-11-4-3-5-12(8-11)9-16(18)14-10-13(19-2)6-7-15(14)17/h3-8,10,16H,9,18H2,1-2H3
InChIKeyDQQGDKZKARAOLJ-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067518
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
1-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)propan-2-ol
CID 65325440
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 61077956
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866744
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine (CID 55067613) is 1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine is COc1ccc(Br)c(C(N)Cc2cccc(C)c2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is DQQGDKZKARAOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-4-3-5-12(8-11)9-16(18)14-10-13(19-2)6-7-15(14)17/h3-8,10,16H,9,18H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine?
1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55067613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).