1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

C16H19BrN2O — CID 82738742

IUPAC1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1cc(OC)ccc1Br
InChIInChI=1S/C16H19BrN2O/c1-3-12-5-4-8-19-16(12)11-18-10-13-9-14(20-2)6-7-15(13)17/h4-9,18H,3,10-11H2,1-2H3
InChIKeyYSDSIVOUVDOJJQ-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.70
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (PubChem CID 82738742) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
PubChem CID82738742
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1cc(OC)ccc1Br
InChIInChI=1S/C16H19BrN2O/c1-3-12-5-4-8-19-16(12)11-18-10-13-9-14(20-2)6-7-15(13)17/h4-9,18H,3,10-11H2,1-2H3
InChIKeyYSDSIVOUVDOJJQ-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine
CID 114600732
2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid
CID 82735434
N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 65323552
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732596
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
CID 55203662
N-[(2-bromo-5-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 65323575
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 82733879
1-(2-bromo-5-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63306292

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (CID 82738742) is 1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is CCc1cccnc1CNCc1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The InChIKey is YSDSIVOUVDOJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-12-5-4-8-19-16(12)11-18-10-13-9-14(20-2)6-7-15(13)17/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine has a molecular weight of 335.25 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 82738742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).