N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine

C13H13BrN2O — CID 103802163

IUPACN-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
SMILESCOc1ccc(NCc2ccc(Br)cc2)nc1
InChIInChI=1S/C13H13BrN2O/c1-17-12-6-7-13(16-9-12)15-8-10-2-4-11(14)5-3-10/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyHQDCJXJTUGDPEY-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.46
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine

N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine (PubChem CID 103802163) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
PubChem CID103802163
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
SMILESCOc1ccc(NCc2ccc(Br)cc2)nc1
InChIInChI=1S/C13H13BrN2O/c1-17-12-6-7-13(16-9-12)15-8-10-2-4-11(14)5-3-10/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyHQDCJXJTUGDPEY-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
N-[(4-bromophenyl)methyl]-5-chloropyridin-2-amine
CID 60705114
N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine
CID 158165887
5-methoxy-N-(1H-pyrazol-4-ylmethyl)pyridin-2-amine
CID 103802199
3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
CID 164934777
5-methoxy-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 103802149
5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 115146650
N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
CID 60917735
N-[(3-fluorophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802193
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine (CID 103802163) is N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine is COc1ccc(NCc2ccc(Br)cc2)nc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine?
The InChIKey is HQDCJXJTUGDPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-17-12-6-7-13(16-9-12)15-8-10-2-4-11(14)5-3-10/h2-7,9H,8H2,1H3,(H,15,16).
What are the key properties of N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine?
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine has a molecular weight of 293.16 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine is sourced from PubChem (CID 103802163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).