N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine

C15H19N3O — CID 103110789

IUPACN-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCc2cccc(N)c2C)n1
InChIInChI=1S/C15H19N3O/c1-3-19-15-9-5-8-14(18-15)17-10-12-6-4-7-13(16)11(12)2/h4-9H,3,10,16H2,1-2H3,(H,17,18)
InChIKeyNQVLGGQISWFMIR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.98
Rot. Bonds5

About N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine

N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine (PubChem CID 103110789) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine
PubChem CID103110789
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCc2cccc(N)c2C)n1
InChIInChI=1S/C15H19N3O/c1-3-19-15-9-5-8-14(18-15)17-10-12-6-4-7-13(16)11(12)2/h4-9H,3,10,16H2,1-2H3,(H,17,18)
InChIKeyNQVLGGQISWFMIR-UHFFFAOYSA-N
XLogP2.98
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.98
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

6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine
CID 103112015
6-ethoxy-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 81177364
6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403626
N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine
CID 107233084
6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 63590936
N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine
CID 63590046
6-ethoxy-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 63590573
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
N-[(3-amino-2-methylphenyl)methyl]-5-chloropyrimidin-2-amine
CID 103111130
6-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762565
N-(cyclobutylmethyl)-6-ethoxypyridin-2-amine
CID 63590749
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine (CID 103110789) is N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine is CCOc1cccc(NCc2cccc(N)c2C)n1.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine?
The InChIKey is NQVLGGQISWFMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-19-15-9-5-8-14(18-15)17-10-12-6-4-7-13(16)11(12)2/h4-9H,3,10,16H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine?
N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine is sourced from PubChem (CID 103110789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).