(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol

C20H26N2O — CID 97258709

IUPAC(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
SMILESO[C@H](CN[C@@H](c1ccccc1)C1CCCCC1)c1ccncc1
InChIInChI=1S/C20H26N2O/c23-19(16-11-13-21-14-12-16)15-22-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18-20,22-23H,2,5-6,9-10,15H2/t19-,20+/m1/s1
InChIKeyIBEIWNMJNNKDNT-UXHICEINSA-N
MW310.44 g/mol
LogP4.03
Rot. Bonds6

About (1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol

(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol (PubChem CID 97258709) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
PubChem CID97258709
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
SMILESO[C@H](CN[C@@H](c1ccccc1)C1CCCCC1)c1ccncc1
InChIInChI=1S/C20H26N2O/c23-19(16-11-13-21-14-12-16)15-22-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18-20,22-23H,2,5-6,9-10,15H2/t19-,20+/m1/s1
InChIKeyIBEIWNMJNNKDNT-UXHICEINSA-N
XLogP4.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[[(S)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258708
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
2-(1-cyclohexylpropylamino)-1-phenylethanol
CID 62405750
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
2-cyclohexyl-1-pyridin-4-ylethanol
CID 62606485
(S)-cyclohexyl(pyridin-4-yl)methanol
CID 166771545
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 69490564
1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
CID 97237571
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol?
The IUPAC name of (1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol (CID 97258709) is (1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol.
What is the SMILES notation for (1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol?
The canonical SMILES for (1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol is O[C@H](CN[C@@H](c1ccccc1)C1CCCCC1)c1ccncc1.
What is the InChIKey of (1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol?
The InChIKey is IBEIWNMJNNKDNT-UXHICEINSA-N. The full InChI is InChI=1S/C20H26N2O/c23-19(16-11-13-21-14-12-16)15-22-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18-20,22-23H,2,5-6,9-10,15H2/t19-,20+/m1/s1.
What are the key properties of (1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol?
(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol has a molecular weight of 310.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol is sourced from PubChem (CID 97258709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).