1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol

C17H26ClNO2 — CID 81388789

IUPAC1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)COc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C17H26ClNO2/c1-13(14-7-3-2-4-8-14)19-11-15(20)12-21-17-10-6-5-9-16(17)18/h5-6,9-10,13-15,19-20H,2-4,7-8,11-12H2,1H3/t13-,15?/m0/s1
InChIKeyXQNKGTIHSNZRAB-CFMCSPIPSA-N
MW311.85 g/mol
LogP3.64
Rot. Bonds7

About 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol

1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol (PubChem CID 81388789) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
PubChem CID81388789
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)COc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C17H26ClNO2/c1-13(14-7-3-2-4-8-14)19-11-15(20)12-21-17-10-6-5-9-16(17)18/h5-6,9-10,13-15,19-20H,2-4,7-8,11-12H2,1H3/t13-,15?/m0/s1
InChIKeyXQNKGTIHSNZRAB-CFMCSPIPSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462
1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol
CID 103914754
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
2-[3-[[(1S)-1-cyclopentylethyl]amino]-2-hydroxypropoxy]benzonitrile
CID 81390213
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol
CID 81389982

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol (CID 81388789) is 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol is C[C@H](NCC(O)COc1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol?
The InChIKey is XQNKGTIHSNZRAB-CFMCSPIPSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-13(14-7-3-2-4-8-14)19-11-15(20)12-21-17-10-6-5-9-16(17)18/h5-6,9-10,13-15,19-20H,2-4,7-8,11-12H2,1H3/t13-,15?/m0/s1.
What are the key properties of 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol?
1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol has a molecular weight of 311.85 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol is sourced from PubChem (CID 81388789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).