1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol

C17H26ClNO — CID 60971864

IUPAC1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
SMILESCCC1CCC(CNCC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H26ClNO/c1-2-13-7-9-14(10-8-13)11-19-12-17(20)15-5-3-4-6-16(15)18/h3-6,13-14,17,19-20H,2,7-12H2,1H3
InChIKeyGXFSPESKJODBMI-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.18
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol

1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol (PubChem CID 60971864) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
PubChem CID60971864
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
SMILESCCC1CCC(CNCC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H26ClNO/c1-2-13-7-9-14(10-8-13)11-19-12-17(20)15-5-3-4-6-16(15)18/h3-6,13-14,17,19-20H,2,7-12H2,1H3
InChIKeyGXFSPESKJODBMI-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
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(2-chlorophenyl)-(3-ethylcyclopentyl)methanol
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1-(2-chlorophenyl)-2-[(2,6-dimethylpiperidin-1-yl)amino]ethanol
CID 83013771
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111998580
1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65120546
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472
1-(2-chlorophenyl)-2-[(3-ethoxycyclobutyl)amino]ethanol
CID 103917765
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol (CID 60971864) is 1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol is CCC1CCC(CNCC(O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol?
The InChIKey is GXFSPESKJODBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-2-13-7-9-14(10-8-13)11-19-12-17(20)15-5-3-4-6-16(15)18/h3-6,13-14,17,19-20H,2,7-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol?
1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol has a molecular weight of 295.85 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol is sourced from PubChem (CID 60971864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).