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

C14H15BrN2O — CID 103934347

IUPAC6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(C)cc1CNc1ccc(Br)nc1
InChIInChI=1S/C14H15BrN2O/c1-10-3-5-13(18-2)11(7-10)8-16-12-4-6-14(15)17-9-12/h3-7,9,16H,8H2,1-2H3
InChIKeyZPKVFECWIFGPAK-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.77
Rot. Bonds4

About 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine

6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine (PubChem CID 103934347) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
PubChem CID103934347
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(C)cc1CNc1ccc(Br)nc1
InChIInChI=1S/C14H15BrN2O/c1-10-3-5-13(18-2)11(7-10)8-16-12-4-6-14(15)17-9-12/h3-7,9,16H,8H2,1-2H3
InChIKeyZPKVFECWIFGPAK-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

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 104599975
4-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-3-nitroaniline
CID 79753868
6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 103926109
N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline
CID 62327636
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 107597883
N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746512

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine (CID 103934347) is 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine is COc1ccc(C)cc1CNc1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine?
The InChIKey is ZPKVFECWIFGPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-3-5-13(18-2)11(7-10)8-16-12-4-6-14(15)17-9-12/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine?
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-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 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 103934347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).