1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol

C17H22N2O — CID 115940380

IUPAC1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)Cc2ccc(C)cc2)cn1
InChIInChI=1S/C17H22N2O/c1-4-17(20)16-10-9-15(11-18-16)19(3)12-14-7-5-13(2)6-8-14/h5-11,17,20H,4,12H2,1-3H3
InChIKeyWDZNCQAIWDIPSR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.47
Rot. Bonds5

About 1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol

1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol (PubChem CID 115940380) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
PubChem CID115940380
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)Cc2ccc(C)cc2)cn1
InChIInChI=1S/C17H22N2O/c1-4-17(20)16-10-9-15(11-18-16)19(3)12-14-7-5-13(2)6-8-14/h5-11,17,20H,4,12H2,1-3H3
InChIKeyWDZNCQAIWDIPSR-UHFFFAOYSA-N
XLogP3.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 103938329
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
3-[[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]methyl]benzonitrile
CID 103938713
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523
(1R)-1-[5-[methyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938385
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 115940436
1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940397
(1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 103938734
(1R)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938831
(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938832
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131957

Frequently Asked Questions

What is the IUPAC name of 1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol (CID 115940380) is 1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N(C)Cc2ccc(C)cc2)cn1.
What is the InChIKey of 1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol?
The InChIKey is WDZNCQAIWDIPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-17(20)16-10-9-15(11-18-16)19(3)12-14-7-5-13(2)6-8-14/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of 1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol?
1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).