(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine

C17H20BrNO — CID 81371563

IUPAC(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C17H20BrNO/c1-12(14-8-10-15(20-3)11-9-14)19-13(2)16-6-4-5-7-17(16)18/h4-13,19H,1-3H3/t12-,13?/m0/s1
InChIKeyJCGQDJDLJHOIKA-UEWDXFNNSA-N
MW334.26 g/mol
LogP4.87
Rot. Bonds5

About (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine

(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 81371563) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID81371563
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C17H20BrNO/c1-12(14-8-10-15(20-3)11-9-14)19-13(2)16-6-4-5-7-17(16)18/h4-13,19H,1-3H3/t12-,13?/m0/s1
InChIKeyJCGQDJDLJHOIKA-UEWDXFNNSA-N
XLogP4.87
TPSA21.26 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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43680054
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
4-[1-[[(1R)-1-(2-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81378019
1-bromo-2-[chloro-(4-methoxyphenyl)methyl]benzene
CID 63428732
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
(1R)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82964495
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 103906291

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine (CID 81371563) is (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@H](C)NC(C)c2ccccc2Br)cc1.
What is the InChIKey of (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is JCGQDJDLJHOIKA-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12(14-8-10-15(20-3)11-9-14)19-13(2)16-6-4-5-7-17(16)18/h4-13,19H,1-3H3/t12-,13?/m0/s1.
What are the key properties of (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81371563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).