(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine

C13H13BrN2O — CID 114053803

IUPAC(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
SMILESCOc1cccnc1C(N)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O/c1-17-11-3-2-8-16-13(11)12(15)9-4-6-10(14)7-5-9/h2-8,12H,15H2,1H3
InChIKeyHKLOGRKNLDGXFZ-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.90
Rot. Bonds3

About (4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine

(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine (PubChem CID 114053803) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is (4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
PubChem CID114053803
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
SMILESCOc1cccnc1C(N)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O/c1-17-11-3-2-8-16-13(11)12(15)9-4-6-10(14)7-5-9/h2-8,12H,15H2,1H3
InChIKeyHKLOGRKNLDGXFZ-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054024
2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053743
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 130650453
(2S)-2-bromo-2-(3-methoxy-2-pyridinyl)acetaldehyde
CID 146197520
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine
CID 78018909
2-(dichloromethyl)-3-methoxypyridine
CID 141354456
(2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054595
3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572566
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine?
The IUPAC name of (4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine (CID 114053803) is (4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine?
The canonical SMILES for (4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine is COc1cccnc1C(N)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine?
The InChIKey is HKLOGRKNLDGXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-17-11-3-2-8-16-13(11)12(15)9-4-6-10(14)7-5-9/h2-8,12H,15H2,1H3.
What are the key properties of (4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine?
(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine has a molecular weight of 293.16 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 114053803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).