(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol

C17H27NO — CID 104922859

IUPAC(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
SMILESCC1CCC(N[C@@H](CO)Cc2ccccc2)CC1C
InChIInChI=1S/C17H27NO/c1-13-8-9-16(10-14(13)2)18-17(12-19)11-15-6-4-3-5-7-15/h3-7,13-14,16-19H,8-12H2,1-2H3/t13?,14?,16?,17-/m1/s1
InChIKeyHXKHYKNGMXPLBJ-UJCFSERGSA-N
MW261.41 g/mol
LogP3.00
Rot. Bonds5

About (2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol

(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol (PubChem CID 104922859) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
PubChem CID104922859
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
SMILESCC1CCC(N[C@@H](CO)Cc2ccccc2)CC1C
InChIInChI=1S/C17H27NO/c1-13-8-9-16(10-14(13)2)18-17(12-19)11-15-6-4-3-5-7-15/h3-7,13-14,16-19H,8-12H2,1-2H3/t13?,14?,16?,17-/m1/s1
InChIKeyHXKHYKNGMXPLBJ-UJCFSERGSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826
(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 102613768
(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 102613829
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 115998927
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
2-(2-adamantylamino)-3-phenylpropan-1-ol
CID 63260809

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol (CID 104922859) is (2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol is CC1CCC(N[C@@H](CO)Cc2ccccc2)CC1C.
What is the InChIKey of (2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol?
The InChIKey is HXKHYKNGMXPLBJ-UJCFSERGSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-8-9-16(10-14(13)2)18-17(12-19)11-15-6-4-3-5-7-15/h3-7,13-14,16-19H,8-12H2,1-2H3/t13?,14?,16?,17-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol?
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104922859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).