1-phenyl-3-(pyridin-2-ylamino)butan-2-ol

C15H18N2O — CID 133400189

IUPAC1-phenyl-3-(pyridin-2-ylamino)butan-2-ol
SMILESCC(Nc1ccccn1)C(O)Cc1ccccc1
InChIInChI=1S/C15H18N2O/c1-12(17-15-9-5-6-10-16-15)14(18)11-13-7-3-2-4-8-13/h2-10,12,14,18H,11H2,1H3,(H,16,17)
InChIKeyGPPLTSRQQCLKMN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.49
Rot. Bonds5

About 1-phenyl-3-(pyridin-2-ylamino)butan-2-ol

1-phenyl-3-(pyridin-2-ylamino)butan-2-ol (PubChem CID 133400189) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-phenyl-3-(pyridin-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-(pyridin-2-ylamino)butan-2-ol
PubChem CID133400189
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-phenyl-3-(pyridin-2-ylamino)butan-2-ol
SMILESCC(Nc1ccccn1)C(O)Cc1ccccc1
InChIInChI=1S/C15H18N2O/c1-12(17-15-9-5-6-10-16-15)14(18)11-13-7-3-2-4-8-13/h2-10,12,14,18H,11H2,1H3,(H,16,17)
InChIKeyGPPLTSRQQCLKMN-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
CID 97238015
1-(pyridin-2-ylamino)ethanol
CID 20521375
N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine
CID 160750901
(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
CID 118492943
1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol
CID 133400176
tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate
CID 132549421
3-(1,3-benzothiazol-2-ylamino)-1-phenylbutan-2-ol
CID 133400238
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol
CID 133400269
3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol
CID 133397480
2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-1-phenylbutan-2-ol
CID 133400244
3-methyl-1-phenylpentane-2,4-diol
CID 59748553

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(pyridin-2-ylamino)butan-2-ol?
The IUPAC name of 1-phenyl-3-(pyridin-2-ylamino)butan-2-ol (CID 133400189) is 1-phenyl-3-(pyridin-2-ylamino)butan-2-ol.
What is the SMILES notation for 1-phenyl-3-(pyridin-2-ylamino)butan-2-ol?
The canonical SMILES for 1-phenyl-3-(pyridin-2-ylamino)butan-2-ol is CC(Nc1ccccn1)C(O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-(pyridin-2-ylamino)butan-2-ol?
The InChIKey is GPPLTSRQQCLKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(17-15-9-5-6-10-16-15)14(18)11-13-7-3-2-4-8-13/h2-10,12,14,18H,11H2,1H3,(H,16,17).
What are the key properties of 1-phenyl-3-(pyridin-2-ylamino)butan-2-ol?
1-phenyl-3-(pyridin-2-ylamino)butan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(pyridin-2-ylamino)butan-2-ol is sourced from PubChem (CID 133400189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).