1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine

C14H15BrN2O — CID 29223796

IUPAC1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2ccccn2)cc1Br
InChIInChI=1S/C14H15BrN2O/c1-18-14-6-5-11(8-13(14)15)9-16-10-12-4-2-3-7-17-12/h2-8,16H,9-10H2,1H3
InChIKeyDZZWXCQHOFDMIH-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.14
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine

1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 29223796) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID29223796
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2ccccn2)cc1Br
InChIInChI=1S/C14H15BrN2O/c1-18-14-6-5-11(8-13(14)15)9-16-10-12-4-2-3-7-17-12/h2-8,16H,9-10H2,1H3
InChIKeyDZZWXCQHOFDMIH-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 17057033
1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969849
1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29225975
1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720336
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 104708550
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 84754657
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
CID 66534596
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]aniline
CID 115212471
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
N-[[6-bromo-3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
CID 66536664
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloropropan-1-amine
CID 60663332

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine (CID 29223796) is 1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine is COc1ccc(CNCc2ccccn2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is DZZWXCQHOFDMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-18-14-6-5-11(8-13(14)15)9-16-10-12-4-2-3-7-17-12/h2-8,16H,9-10H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 307.19 g/mol, XLogP of 3.14, 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-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 29223796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).