2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol

C13H19NO2 — CID 62414370

IUPAC2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCC2)cc1
InChIInChI=1S/C13H19NO2/c1-16-12-7-5-10(6-8-12)13(15)9-14-11-3-2-4-11/h5-8,11,13-15H,2-4,9H2,1H3
InChIKeyKMUCJKMYEJBTFB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.87
Rot. Bonds5

About 2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol

2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol (PubChem CID 62414370) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
PubChem CID62414370
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCC2)cc1
InChIInChI=1S/C13H19NO2/c1-16-12-7-5-10(6-8-12)13(15)9-14-11-3-2-4-11/h5-8,11,13-15H,2-4,9H2,1H3
InChIKeyKMUCJKMYEJBTFB-UHFFFAOYSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64743967
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 81422251
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64742281
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)ethanol
CID 112501830

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol (CID 62414370) is 2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNC2CCC2)cc1.
What is the InChIKey of 2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol?
The InChIKey is KMUCJKMYEJBTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-12-7-5-10(6-8-12)13(15)9-14-11-3-2-4-11/h5-8,11,13-15H,2-4,9H2,1H3.
What are the key properties of 2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol?
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 62414370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).