(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine

C16H17BrClNO — CID 104816085

IUPAC(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(Cl)c1CN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C16H17BrClNO/c1-11(12-5-3-6-13(17)9-12)19-10-14-15(18)7-4-8-16(14)20-2/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyXDJPRSPKDGWXBR-LLVKDONJSA-N
MW354.68 g/mol
LogP4.96
Rot. Bonds5

About (1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine

(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine (PubChem CID 104816085) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
PubChem CID104816085
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(Cl)c1CN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C16H17BrClNO/c1-11(12-5-3-6-13(17)9-12)19-10-14-15(18)7-4-8-16(14)20-2/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyXDJPRSPKDGWXBR-LLVKDONJSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[(1S)-1-(3-bromophenyl)ethyl]amino]methyl]-3-chlorophenol
CID 114318274
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 126798109
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4-pyridin-4-ylphenyl)ethanamine
CID 167845992
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 81355291
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
(1S)-1-(3-bromophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81382171
N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 114319725
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine (CID 104816085) is (1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine is COc1cccc(Cl)c1CN[C@H](C)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine?
The InChIKey is XDJPRSPKDGWXBR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-11(12-5-3-6-13(17)9-12)19-10-14-15(18)7-4-8-16(14)20-2/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104816085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).