1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

C16H19BrN2O — CID 63305921

IUPAC1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ncccc2C)cc1Br
InChIInChI=1S/C16H19BrN2O/c1-11-5-4-8-18-15(11)10-19-12(2)13-6-7-16(20-3)14(17)9-13/h4-9,12,19H,10H2,1-3H3
InChIKeyFLVYZSGWZUDNNL-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.01
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 63305921) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID63305921
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ncccc2C)cc1Br
InChIInChI=1S/C16H19BrN2O/c1-11-5-4-8-18-15(11)10-19-12(2)13-6-7-16(20-3)14(17)9-13/h4-9,12,19H,10H2,1-3H3
InChIKeyFLVYZSGWZUDNNL-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461101
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280036
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305868
1-(3-bromo-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 113219579
N,N-dimethyl-4-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]aniline
CID 63305834
1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 43230865
1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 43230853

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (CID 63305921) is 1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is COc1ccc(C(C)NCc2ncccc2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is FLVYZSGWZUDNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-5-4-8-18-15(11)10-19-12(2)13-6-7-16(20-3)14(17)9-13/h4-9,12,19H,10H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 335.25 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63305921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).