(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

C15H17BrN2O — CID 81382454

IUPAC(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@H](C)c2cccc(Br)c2)n1
InChIInChI=1S/C15H17BrN2O/c1-11(12-5-3-6-13(16)9-12)17-10-14-7-4-8-15(18-14)19-2/h3-9,11,17H,10H2,1-2H3/t11-/m1/s1
InChIKeyITMQSNYGZHODDB-LLVKDONJSA-N
MW321.22 g/mol
LogP3.70
Rot. Bonds5

About (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 81382454) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
PubChem CID81382454
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@H](C)c2cccc(Br)c2)n1
InChIInChI=1S/C15H17BrN2O/c1-11(12-5-3-6-13(16)9-12)17-10-14-7-4-8-15(18-14)19-2/h3-9,11,17H,10H2,1-2H3/t11-/m1/s1
InChIKeyITMQSNYGZHODDB-LLVKDONJSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 112582155
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461
(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332
(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81397060
(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374235
(1R)-1-(furan-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81399782
(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82865696
(1S)-1-(3-bromophenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81381613
(1S)-1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104862921
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
CID 28673434
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (CID 81382454) is (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is COc1cccc(CN[C@H](C)c2cccc(Br)c2)n1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is ITMQSNYGZHODDB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11(12-5-3-6-13(16)9-12)17-10-14-7-4-8-15(18-14)19-2/h3-9,11,17H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 81382454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).