N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine

C13H15N3O — CID 61014430

IUPACN-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(N)cc1CNc1ccccn1
InChIInChI=1S/C13H15N3O/c1-17-12-6-5-11(14)8-10(12)9-16-13-4-2-3-7-15-13/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyYHMBDTHTXQWGFF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.28
Rot. Bonds4

About N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine

N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 61014430) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID61014430
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(N)cc1CNc1ccccn1
InChIInChI=1S/C13H15N3O/c1-17-12-6-5-11(14)8-10(12)9-16-13-4-2-3-7-15-13/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyYHMBDTHTXQWGFF-UHFFFAOYSA-N
XLogP2.28
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 61014190
N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240730
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65275654
N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine
CID 66319729
N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
CID 142222409
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
CID 61015082
N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332143
4-methoxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 43247155
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521
N-[(2-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 115692595

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine (CID 61014430) is N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(N)cc1CNc1ccccn1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is YHMBDTHTXQWGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-12-6-5-11(14)8-10(12)9-16-13-4-2-3-7-15-13/h2-8H,9,14H2,1H3,(H,15,16).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine?
N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 61014430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).