(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine

C17H20BrNO2 — CID 78950351

IUPAC(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1cc(Br)c(CN[C@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C17H20BrNO2/c1-12(13-7-5-4-6-8-13)19-11-14-9-16(20-2)17(21-3)10-15(14)18/h4-10,12,19H,11H2,1-3H3/t12-/m1/s1
InChIKeyFBALECKZEROLEY-GFCCVEGCSA-N
MW350.26 g/mol
LogP4.32
Rot. Bonds6

About (1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine

(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine (PubChem CID 78950351) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is (1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
PubChem CID78950351
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1cc(Br)c(CN[C@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C17H20BrNO2/c1-12(13-7-5-4-6-8-13)19-11-14-9-16(20-2)17(21-3)10-15(14)18/h4-10,12,19H,11H2,1-3H3/t12-/m1/s1
InChIKeyFBALECKZEROLEY-GFCCVEGCSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 66534985
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17293395
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 66535024
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylethanamine
CID 2949641
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624665
(1S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403898
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride
CID 47008250
(1R)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-phenylethanamine
CID 26682357
(2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]propanoic acid
CID 94212923
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
methyl 3-bromo-4-[(1-phenylethylamino)methyl]benzoate
CID 102766395
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43775679

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine (CID 78950351) is (1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine is COc1cc(Br)c(CN[C@H](C)c2ccccc2)cc1OC.
What is the InChIKey of (1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine?
The InChIKey is FBALECKZEROLEY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12(13-7-5-4-6-8-13)19-11-14-9-16(20-2)17(21-3)10-15(14)18/h4-10,12,19H,11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine?
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 78950351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).