1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol

C18H29NO2 — CID 81338115

IUPAC1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
SMILESCOc1cccc(C(O)CNC2CCCCC2C(C)C)c1
InChIInChI=1S/C18H29NO2/c1-13(2)16-9-4-5-10-17(16)19-12-18(20)14-7-6-8-15(11-14)21-3/h6-8,11,13,16-20H,4-5,9-10,12H2,1-3H3
InChIKeyAFVOWCRICCBXTK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.53
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol

1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol (PubChem CID 81338115) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
PubChem CID81338115
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
SMILESCOc1cccc(C(O)CNC2CCCCC2C(C)C)c1
InChIInChI=1S/C18H29NO2/c1-13(2)16-9-4-5-10-17(16)19-12-18(20)14-7-6-8-15(11-14)21-3/h6-8,11,13,16-20H,4-5,9-10,12H2,1-3H3
InChIKeyAFVOWCRICCBXTK-UHFFFAOYSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81301234
1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
CID 81133622
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
CID 81134353
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 60714933
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol
CID 81134315
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
CID 103729783
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol (CID 81338115) is 1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol is COc1cccc(C(O)CNC2CCCCC2C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol?
The InChIKey is AFVOWCRICCBXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)16-9-4-5-10-17(16)19-12-18(20)14-7-6-8-15(11-14)21-3/h6-8,11,13,16-20H,4-5,9-10,12H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol?
1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol has a molecular weight of 291.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol is sourced from PubChem (CID 81338115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).