1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol

C16H24ClNO2 — CID 103921901

IUPAC1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol
SMILESCCOC1CC(NCC(O)c2ccccc2Cl)C1(C)C
InChIInChI=1S/C16H24ClNO2/c1-4-20-15-9-14(16(15,2)3)18-10-13(19)11-7-5-6-8-12(11)17/h5-8,13-15,18-19H,4,9-10H2,1-3H3
InChIKeyLSHRERLABKJFOV-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.17
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol

1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol (PubChem CID 103921901) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol
PubChem CID103921901
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol
SMILESCCOC1CC(NCC(O)c2ccccc2Cl)C1(C)C
InChIInChI=1S/C16H24ClNO2/c1-4-20-15-9-14(16(15,2)3)18-10-13(19)11-7-5-6-8-12(11)17/h5-8,13-15,18-19H,4,9-10H2,1-3H3
InChIKeyLSHRERLABKJFOV-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-[(3-ethoxycyclobutyl)amino]ethanol
CID 103917765
1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol
CID 103966216
3-ethoxy-2,2-dimethyl-N-(naphthalen-1-ylmethyl)cyclobutan-1-amine
CID 64852908
3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 64852089
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 64850958
1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 60971864
2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline
CID 65467782
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 65469345
3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 79763220
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
1-(2-chlorophenyl)-2-[(2,6-dimethylpiperidin-1-yl)amino]ethanol
CID 83013771

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol (CID 103921901) is 1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol is CCOC1CC(NCC(O)c2ccccc2Cl)C1(C)C.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol?
The InChIKey is LSHRERLABKJFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-20-15-9-14(16(15,2)3)18-10-13(19)11-7-5-6-8-12(11)17/h5-8,13-15,18-19H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol?
1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol has a molecular weight of 297.83 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol is sourced from PubChem (CID 103921901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).