1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol

C18H23N3O — CID 75379570

IUPAC1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
SMILESOC(CNCc1ccc(N2CCCC2)nc1)c1ccccc1
InChIInChI=1S/C18H23N3O/c22-17(16-6-2-1-3-7-16)14-19-12-15-8-9-18(20-13-15)21-10-4-5-11-21/h1-3,6-9,13,17,19,22H,4-5,10-12,14H2
InChIKeyVFKRKHSGYWBHME-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.51
Rot. Bonds6

About 1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol

1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol (PubChem CID 75379570) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
PubChem CID75379570
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
SMILESOC(CNCc1ccc(N2CCCC2)nc1)c1ccccc1
InChIInChI=1S/C18H23N3O/c22-17(16-6-2-1-3-7-16)14-19-12-15-8-9-18(20-13-15)21-10-4-5-11-21/h1-3,6-9,13,17,19,22H,4-5,10-12,14H2
InChIKeyVFKRKHSGYWBHME-UHFFFAOYSA-N
XLogP2.51
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 167851736
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
1-[2-(dimethylamino)-2-phenylethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55739594
(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid
CID 120511564
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119846505
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514621
1-[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836671
2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol
CID 22496166
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 86918988
2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid
CID 122128887

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol?
The IUPAC name of 1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol (CID 75379570) is 1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol?
The canonical SMILES for 1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol is OC(CNCc1ccc(N2CCCC2)nc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol?
The InChIKey is VFKRKHSGYWBHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-17(16-6-2-1-3-7-16)14-19-12-15-8-9-18(20-13-15)21-10-4-5-11-21/h1-3,6-9,13,17,19,22H,4-5,10-12,14H2.
What are the key properties of 1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol?
1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol has a molecular weight of 297.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 75379570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).