(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol

C16H25NO — CID 129368100

IUPAC(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
SMILESC[C@@](O)(CNCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-16(18,15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2,4-5,8-9,15,17-18H,3,6-7,10-13H2,1H3/t16-/m1/s1
InChIKeyPUXIOFWEEXXYQV-MRXNPFEDSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds5

About (2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol

(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol (PubChem CID 129368100) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
PubChem CID129368100
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
SMILESC[C@@](O)(CNCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-16(18,15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2,4-5,8-9,15,17-18H,3,6-7,10-13H2,1H3/t16-/m1/s1
InChIKeyPUXIOFWEEXXYQV-MRXNPFEDSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(2,3-dihydro-1H-inden-5-ylmethylamino)propan-2-ol
CID 166350957
N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 90499424
N-benzyl-2-cyclopentylpropan-2-amine
CID 115868314
benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate
CID 124845856
2-(benzylamino)-2-cyclohexylpropanoic acid
CID 63320736
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
2-cyclohexyl-1-(propylamino)propan-2-ol
CID 62775287
1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
CID 166351014
1-(benzylamino)-2-methylbut-3-en-2-ol
CID 11263990
1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
CID 166351066
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol?
The IUPAC name of (2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol (CID 129368100) is (2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol.
What is the SMILES notation for (2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol?
The canonical SMILES for (2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol is C[C@@](O)(CNCc1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol?
The InChIKey is PUXIOFWEEXXYQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(18,15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2,4-5,8-9,15,17-18H,3,6-7,10-13H2,1H3/t16-/m1/s1.
What are the key properties of (2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol?
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol is sourced from PubChem (CID 129368100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).