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

C17H22N2O — CID 106754926

IUPACN-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1ccnc(C)c1
InChIInChI=1S/C17H22N2O/c1-4-10-19-17(15-9-11-18-13(2)12-15)14-5-7-16(20-3)8-6-14/h5-9,11-12,17,19H,4,10H2,1-3H3
InChIKeyLOZSKFXVYSUYBU-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds6

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

N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 106754926) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID106754926
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1ccnc(C)c1
InChIInChI=1S/C17H22N2O/c1-4-10-19-17(15-9-11-18-13(2)12-15)14-5-7-16(20-3)8-6-14/h5-9,11-12,17,19H,4,10H2,1-3H3
InChIKeyLOZSKFXVYSUYBU-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

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Related Compounds

N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63839602
N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755261
N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 105095516
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755255
N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106883579
2,2-dimethyl-1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106755303

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine (CID 106754926) is N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1)c1ccnc(C)c1.
What is the InChIKey of N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is LOZSKFXVYSUYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-10-19-17(15-9-11-18-13(2)12-15)14-5-7-16(20-3)8-6-14/h5-9,11-12,17,19H,4,10H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
N-[(4-methoxyphenyl)-(2-methyl-4-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-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106754926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).