(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol

C18H29NO — CID 104926144

IUPAC(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol
SMILESCC(C)C1CCCCC1N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C18H29NO/c1-14(2)17-10-6-7-11-18(17)19-16(13-20)12-15-8-4-3-5-9-15/h3-5,8-9,14,16-20H,6-7,10-13H2,1-2H3/t16-,17?,18?/m1/s1
InChIKeyCMXDZYXBIPLOAZ-WWDZGPRUSA-N
MW275.44 g/mol
LogP3.39
Rot. Bonds6

About (2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol

(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol (PubChem CID 104926144) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol
PubChem CID104926144
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol
SMILESCC(C)C1CCCCC1N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C18H29NO/c1-14(2)17-10-6-7-11-18(17)19-16(13-20)12-15-8-4-3-5-9-15/h3-5,8-9,14,16-20H,6-7,10-13H2,1-2H3/t16-,17?,18?/m1/s1
InChIKeyCMXDZYXBIPLOAZ-WWDZGPRUSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 102613768
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide
CID 107033557
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 95968425
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol?
The IUPAC name of (2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol (CID 104926144) is (2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for (2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for (2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol is CC(C)C1CCCCC1N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol?
The InChIKey is CMXDZYXBIPLOAZ-WWDZGPRUSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)17-10-6-7-11-18(17)19-16(13-20)12-15-8-4-3-5-9-15/h3-5,8-9,14,16-20H,6-7,10-13H2,1-2H3/t16-,17?,18?/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol?
(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 104926144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).