(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol

C17H22N2O — CID 103938832

IUPAC(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)CCc2ccccc2)cn1
InChIInChI=1S/C17H22N2O/c1-3-17(20)16-10-9-15(13-18-16)19(2)12-11-14-7-5-4-6-8-14/h4-10,13,17,20H,3,11-12H2,1-2H3/t17-/m0/s1
InChIKeyZDBJFPOUEWSADI-KRWDZBQOSA-N
MW270.38 g/mol
LogP3.20
Rot. Bonds6

About (1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol

(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938832) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID103938832
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)CCc2ccccc2)cn1
InChIInChI=1S/C17H22N2O/c1-3-17(20)16-10-9-15(13-18-16)19(2)12-11-14-7-5-4-6-8-14/h4-10,13,17,20H,3,11-12H2,1-2H3/t17-/m0/s1
InChIKeyZDBJFPOUEWSADI-KRWDZBQOSA-N
XLogP3.20
TPSA36.36 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938831
1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 115940386
N-methyl-6-[1-(methylamino)propyl]-N-(2-phenylethyl)pyridin-3-amine
CID 115939684
(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938326
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
3-[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]propanenitrile
CID 112585242
5-N-methyl-5-N-(2-phenylethyl)pyridine-2,5-diamine
CID 65482934
(1R)-1-[5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938756
(1R)-1-[5-[methyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938385
1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 115940380
(1R)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 103938329
1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940397

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol (CID 103938832) is (1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(N(C)CCc2ccccc2)cn1.
What is the InChIKey of (1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is ZDBJFPOUEWSADI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-17(20)16-10-9-15(13-18-16)19(2)12-11-14-7-5-4-6-8-14/h4-10,13,17,20H,3,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).