6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine

C15H17BrN2O3 — CID 103926109

IUPAC6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1cc(CNc2ccc(Br)nc2)cc(OC)c1OC
InChIInChI=1S/C15H17BrN2O3/c1-19-12-6-10(7-13(20-2)15(12)21-3)8-17-11-4-5-14(16)18-9-11/h4-7,9,17H,8H2,1-3H3
InChIKeyNUWZOVYWVGTCMX-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.48
Rot. Bonds6

About 6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine

6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine (PubChem CID 103926109) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
PubChem CID103926109
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1cc(CNc2ccc(Br)nc2)cc(OC)c1OC
InChIInChI=1S/C15H17BrN2O3/c1-19-12-6-10(7-13(20-2)15(12)21-3)8-17-11-4-5-14(16)18-9-11/h4-7,9,17H,8H2,1-3H3
InChIKeyNUWZOVYWVGTCMX-UHFFFAOYSA-N
XLogP3.48
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 103934347
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
5-[(3-bromo-4,5-dimethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
CID 73362856
5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171705192
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23766005
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-ethylaniline
CID 126124834
3,4,5-trimethoxy-N-(pyrimidin-5-ylmethyl)aniline
CID 62760612
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107
2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 1115726
N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825840

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine (CID 103926109) is 6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine is COc1cc(CNc2ccc(Br)nc2)cc(OC)c1OC.
What is the InChIKey of 6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is NUWZOVYWVGTCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-19-12-6-10(7-13(20-2)15(12)21-3)8-17-11-4-5-14(16)18-9-11/h4-7,9,17H,8H2,1-3H3.
What are the key properties of 6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine?
6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 353.22 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 103926109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).