(1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine

C17H21BrN2O — CID 81381748

IUPAC(1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1c(C)cnc(CN[C@H](C)c2cccc(Br)c2)c1C
InChIInChI=1S/C17H21BrN2O/c1-11-9-20-16(12(2)17(11)21-4)10-19-13(3)14-6-5-7-15(18)8-14/h5-9,13,19H,10H2,1-4H3/t13-/m1/s1
InChIKeyZGTVAMJLQPCHPB-CYBMUJFWSA-N
MW349.27 g/mol
LogP4.32
Rot. Bonds5

About (1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine

(1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine (PubChem CID 81381748) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
PubChem CID81381748
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name(1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1c(C)cnc(CN[C@H](C)c2cccc(Br)c2)c1C
InChIInChI=1S/C17H21BrN2O/c1-11-9-20-16(12(2)17(11)21-4)10-19-13(3)14-6-5-7-15(18)8-14/h5-9,13,19H,10H2,1-4H3/t13-/m1/s1
InChIKeyZGTVAMJLQPCHPB-CYBMUJFWSA-N
XLogP4.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 81352653
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43534519
(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 81406746
(1S)-1-(3-bromophenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81381659
(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332
1-(3-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113247038
(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81382454
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758584
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
CID 43499835
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine (CID 81381748) is (1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine is COc1c(C)cnc(CN[C@H](C)c2cccc(Br)c2)c1C.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is ZGTVAMJLQPCHPB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-11-9-20-16(12(2)17(11)21-4)10-19-13(3)14-6-5-7-15(18)8-14/h5-9,13,19H,10H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.32, 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-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 81381748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).