N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine

C17H22N2O — CID 105095268

IUPACN-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1cccnc1C
InChIInChI=1S/C17H22N2O/c1-4-11-19-17(16-6-5-12-18-13(16)2)14-7-9-15(20-3)10-8-14/h5-10,12,17,19H,4,11H2,1-3H3
InChIKeyKSYPOFGIEDUJFE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds6

About N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105095268) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID105095268
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1cccnc1C
InChIInChI=1S/C17H22N2O/c1-4-11-19-17(16-6-5-12-18-13(16)2)14-7-9-15(20-3)10-8-14/h5-10,12,17,19H,4,11H2,1-3H3
InChIKeyKSYPOFGIEDUJFE-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-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)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-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105096996
N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897
N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 105095516
N-[(3-chloro-4-methylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 107561571
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105164579
N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63839602
N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105140352
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine
CID 105090915
N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 65313561
N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 106851671

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine (CID 105095268) is N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1)c1cccnc1C.
What is the InChIKey of N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is KSYPOFGIEDUJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-11-19-17(16-6-5-12-18-13(16)2)14-7-9-15(20-3)10-8-14/h5-10,12,17,19H,4,11H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)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-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105095268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).