1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine

C17H20BrNO — CID 62538802

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H20BrNO/c1-11-4-5-13(8-12(11)2)9-17(19)15-10-14(20-3)6-7-16(15)18/h4-8,10,17H,9,19H2,1-3H3
InChIKeyNXRZWMDHWMPLNB-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.32
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine

1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 62538802) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID62538802
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H20BrNO/c1-11-4-5-13(8-12(11)2)9-17(19)15-10-14(20-3)6-7-16(15)18/h4-8,10,17H,9,19H2,1-3H3
InChIKeyNXRZWMDHWMPLNB-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.32
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-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067613
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81473930
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2,4-dimethoxybenzene
CID 63441842
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724
1-(2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 62537327

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine (CID 62538802) is 1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine is COc1ccc(Br)c(C(N)Cc2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is NXRZWMDHWMPLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-4-5-13(8-12(11)2)9-17(19)15-10-14(20-3)6-7-16(15)18/h4-8,10,17H,9,19H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine?
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.32, 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-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 62538802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).