3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol

C16H20N2O — CID 80527108

IUPAC3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol
SMILESCc1cccc(C(O)C(CN)c2ccccn2)c1C
InChIInChI=1S/C16H20N2O/c1-11-6-5-7-13(12(11)2)16(19)14(10-17)15-8-3-4-9-18-15/h3-9,14,16,19H,10,17H2,1-2H3
InChIKeyFGYZZEIPEXYRRG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.47
Rot. Bonds4

About 3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol

3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol (PubChem CID 80527108) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol
PubChem CID80527108
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol
SMILESCc1cccc(C(O)C(CN)c2ccccn2)c1C
InChIInChI=1S/C16H20N2O/c1-11-6-5-7-13(12(11)2)16(19)14(10-17)15-8-3-4-9-18-15/h3-9,14,16,19H,10,17H2,1-2H3
InChIKeyFGYZZEIPEXYRRG-UHFFFAOYSA-N
XLogP2.47
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 80525924
3-amino-1-(2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527197
3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol
CID 114031488
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527014
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62548536
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256
3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 80526991
N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 62548702

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol (CID 80527108) is 3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol is Cc1cccc(C(O)C(CN)c2ccccn2)c1C.
What is the InChIKey of 3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol?
The InChIKey is FGYZZEIPEXYRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-6-5-7-13(12(11)2)16(19)14(10-17)15-8-3-4-9-18-15/h3-9,14,16,19H,10,17H2,1-2H3.
What are the key properties of 3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol?
3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 80527108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).