5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine

C14H15BrN2O — CID 115146650

IUPAC5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ccc(Br)cn2)cc1C
InChIInChI=1S/C14H15BrN2O/c1-10-7-11(3-5-13(10)18-2)8-16-14-6-4-12(15)9-17-14/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyQKMXMFDPZNVHKK-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.77
Rot. Bonds4

About 5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine

5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine (PubChem CID 115146650) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
PubChem CID115146650
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ccc(Br)cn2)cc1C
InChIInChI=1S/C14H15BrN2O/c1-10-7-11(3-5-13(10)18-2)8-16-14-6-4-12(15)9-17-14/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyQKMXMFDPZNVHKK-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
CID 115146811
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296
5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 75372885
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146824
2-methoxy-5-[[(5-methyl-2-pyridinyl)amino]methyl]phenol
CID 71695384
3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43762883
5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine
CID 115146686
2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
5-bromo-N-(naphthalen-2-ylmethyl)pyridin-2-amine
CID 115146732
5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
CID 83308187
N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
CID 60917735

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine (CID 115146650) is 5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2ccc(Br)cn2)cc1C.
What is the InChIKey of 5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is QKMXMFDPZNVHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-7-11(3-5-13(10)18-2)8-16-14-6-4-12(15)9-17-14/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine?
5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 115146650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).