1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol

C17H21ClN2O — CID 115940456

IUPAC1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)C(C)c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H21ClN2O/c1-4-17(21)16-9-8-15(11-19-16)20(3)12(2)13-6-5-7-14(18)10-13/h5-12,17,21H,4H2,1-3H3
InChIKeyTUQORDFDKGQRQS-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.38
Rot. Bonds5

About 1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol

1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol (PubChem CID 115940456) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
PubChem CID115940456
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)C(C)c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H21ClN2O/c1-4-17(21)16-9-8-15(11-19-16)20(3)12(2)13-6-5-7-14(18)10-13/h5-12,17,21H,4H2,1-3H3
InChIKeyTUQORDFDKGQRQS-UHFFFAOYSA-N
XLogP4.38
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 103938724
5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990635
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586532
1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 115940490
(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941110
1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112661743
4-(bromomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 107083095
[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol
CID 106529874
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
[4-[1-(3-chlorophenyl)ethyl-methylamino]-3,5-difluorophenyl]methanol
CID 63075837

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol (CID 115940456) is 1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N(C)C(C)c2cccc(Cl)c2)cn1.
What is the InChIKey of 1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol?
The InChIKey is TUQORDFDKGQRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-17(21)16-9-8-15(11-19-16)20(3)12(2)13-6-5-7-14(18)10-13/h5-12,17,21H,4H2,1-3H3.
What are the key properties of 1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol?
1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol has a molecular weight of 304.82 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).