(1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol

C19H18ClN3O — CID 59446306

IUPAC(1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol
SMILESNc1ccc(-c2ccc([C@@H](O)[C@@H](N)c3ccc(Cl)cc3)cc2)cn1
InChIInChI=1S/C19H18ClN3O/c20-16-8-5-13(6-9-16)18(22)19(24)14-3-1-12(2-4-14)15-7-10-17(21)23-11-15/h1-11,18-19,24H,22H2,(H2,21,23)/t18-,19+/m0/s1
InChIKeyXYGBQQDPAUUOBQ-RBUKOAKNSA-N
MW339.83 g/mol
LogP3.72
Rot. Bonds4

About (1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol

(1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol (PubChem CID 59446306) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol
PubChem CID59446306
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name(1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol
SMILESNc1ccc(-c2ccc([C@@H](O)[C@@H](N)c3ccc(Cl)cc3)cc2)cn1
InChIInChI=1S/C19H18ClN3O/c20-16-8-5-13(6-9-16)18(22)19(24)14-3-1-12(2-4-14)15-7-10-17(21)23-11-15/h1-11,18-19,24H,22H2,(H2,21,23)/t18-,19+/m0/s1
InChIKeyXYGBQQDPAUUOBQ-RBUKOAKNSA-N
XLogP3.72
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-Chloroanilino)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)ethanol
CID 24824534
2-[[6-(4-Chlorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44203731
2-[[2-(3-Chloroanilino)pyrimidin-4-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530288
2-[[2-(4-Chloroanilino)pyrimidin-4-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530289
2-(2-Amino-3-pyridinyl)-1-(2,3-dichlorophenyl)ethanol
CID 64135196
1,2-Diphenyl-2-(pyridin-2-ylamino)ethanol
CID 273590
[4-[6-Amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol
CID 155558277
4-[2-Amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol
CID 122531711
(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol
CID 118675733
(4-(2-Amino-5-phenylpyridin-3-yl)phenyl)methanol
CID 46229881
[3-[2-Amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol
CID 70694476
L 640033
CID 183821

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol (CID 59446306) is (1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol is Nc1ccc(-c2ccc([C@@H](O)[C@@H](N)c3ccc(Cl)cc3)cc2)cn1.
What is the InChIKey of (1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol?
The InChIKey is XYGBQQDPAUUOBQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-16-8-5-13(6-9-16)18(22)19(24)14-3-1-12(2-4-14)15-7-10-17(21)23-11-15/h1-11,18-19,24H,22H2,(H2,21,23)/t18-,19+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol?
(1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol has a molecular weight of 339.83 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-[4-(6-amino-3-pyridinyl)phenyl]-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 59446306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).