N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine

C17H22N2O — CID 105090915

IUPACN-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)c1cccnc1OC
InChIInChI=1S/C17H22N2O/c1-4-10-18-16(14-8-5-7-13(2)12-14)15-9-6-11-19-17(15)20-3/h5-9,11-12,16,18H,4,10H2,1-3H3
InChIKeySQHDCYXLTOCAAQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine

N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine (PubChem CID 105090915) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine
PubChem CID105090915
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)c1cccnc1OC
InChIInChI=1S/C17H22N2O/c1-4-10-18-16(14-8-5-7-13(2)12-14)15-9-6-11-19-17(15)20-3/h5-9,11-12,16,18H,4,10H2,1-3H3
InChIKeySQHDCYXLTOCAAQ-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-methylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 107561571
[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]hydrazine
CID 105284864
N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105140730
N-[(2-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164386
N-[(3-bromo-2-fluorophenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 106648080
N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105096996
N-[(3-methoxypyrazin-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 104515368
1-(3,5-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105097099
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105148511
N-[(3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360196
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 115605106

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine (CID 105090915) is N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(C)c1)c1cccnc1OC.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine?
The InChIKey is SQHDCYXLTOCAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-10-18-16(14-8-5-7-13(2)12-14)15-9-6-11-19-17(15)20-3/h5-9,11-12,16,18H,4,10H2,1-3H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine?
N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105090915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).