6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol

C22H22F2N2O — CID 163973931

IUPAC6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol
SMILESCCC(F)(F)c1cccc(C(N)(Cc2ccccc2)c2ccc(O)cn2)c1
InChIInChI=1S/C22H22F2N2O/c1-2-22(23,24)18-10-6-9-17(13-18)21(25,14-16-7-4-3-5-8-16)20-12-11-19(27)15-26-20/h3-13,15,27H,2,14,25H2,1H3
InChIKeySSKMPQPRZZEPFF-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.73
Rot. Bonds6

About 6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol

6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol (PubChem CID 163973931) has the molecular formula C22H22F2N2O and a molecular weight of 368.43 g/mol. Its IUPAC name is 6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol
PubChem CID163973931
Molecular FormulaC22H22F2N2O
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol
SMILESCCC(F)(F)c1cccc(C(N)(Cc2ccccc2)c2ccc(O)cn2)c1
InChIInChI=1S/C22H22F2N2O/c1-2-22(23,24)18-10-6-9-17(13-18)21(25,14-16-7-4-3-5-8-16)20-12-11-19(27)15-26-20/h3-13,15,27H,2,14,25H2,1H3
InChIKeySSKMPQPRZZEPFF-UHFFFAOYSA-N
XLogP4.73
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-(Tert-butyl)phenyl)pyridin-3-ol hydrochloride
CID 16192568
3-Pyridinol, 5-benzyl-2-(piperidinomethyl)-
CID 744728
2-Phenyl-3-pyridinol
CID 18705
trans-6-[1-Ethyl-2-(4-hydroxy-phenyl)-propyl]-pyridin-3-ol
CID 44224542
trans-6-[1-Ethyl-2-(4-hydroxy-phenyl)-butyl]-pyridin-3-ol
CID 44224544
6-[1-(4-Hydroxy-benzyl)-propyl]-pyridin-3-ol
CID 44227600
5-[(4-Methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride
CID 44522341
4-[5-[(3,4-Difluorophenyl)methylamino]-3-pyridinyl]phenol
CID 11652532
2-(Phenylmethyl)-3-pyridinol
CID 217155
6-[2-(4-Hydroxy-phenyl)-propyl]-pyridin-3-ol
CID 44224340
cis-6-[1-Ethyl-2-(4-hydroxy-phenyl)-butyl]-pyridin-3-ol
CID 44224543
6-[2-(4-Hydroxy-phenyl)-1-methyl-ethyl]-pyridin-3-ol
CID 44227599

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol?
The IUPAC name of 6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol (CID 163973931) is 6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol.
What is the SMILES notation for 6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol?
The canonical SMILES for 6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol is CCC(F)(F)c1cccc(C(N)(Cc2ccccc2)c2ccc(O)cn2)c1.
What is the InChIKey of 6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol?
The InChIKey is SSKMPQPRZZEPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O/c1-2-22(23,24)18-10-6-9-17(13-18)21(25,14-16-7-4-3-5-8-16)20-12-11-19(27)15-26-20/h3-13,15,27H,2,14,25H2,1H3.
What are the key properties of 6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol?
6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol has a molecular weight of 368.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol is sourced from PubChem (CID 163973931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).