1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol

C17H26ClNO — CID 19823723

IUPAC1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol
SMILESCCC(O)(CC)CC(N)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C17H26ClNO/c1-3-16(20,4-2)12-15(19)17(9-6-10-17)13-7-5-8-14(18)11-13/h5,7-8,11,15,20H,3-4,6,9-10,12,19H2,1-2H3
InChIKeyDPKHTWWAHOWTGW-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.03
Rot. Bonds6

About 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol

1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol (PubChem CID 19823723) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol.

Molecular Properties

Compound Name1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol
PubChem CID19823723
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol
SMILESCCC(O)(CC)CC(N)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C17H26ClNO/c1-3-16(20,4-2)12-15(19)17(9-6-10-17)13-7-5-8-14(18)11-13/h5,7-8,11,15,20H,3-4,6,9-10,12,19H2,1-2H3
InChIKeyDPKHTWWAHOWTGW-UHFFFAOYSA-N
XLogP4.03
TPSA46.25 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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3-dimethylbutan-2-ol
CID 103047748
delta-Amino-1-(4-chlorophenyl)-beta-methylcyclobutanebutanol
CID 10492080
4-Amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 19823671
1-Amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
CID 19823685
4-Amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,1-trifluoro-2-methylbutan-2-ol
CID 19823766
4-Amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 19823796
1-Amino-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823805
1-Amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823854
4-Amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol
CID 70467769
1-(3-Chlorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103024954
1-(3-Chlorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031393
4-Amino-3-(3-chloro-4-fluorophenyl)-3-methylpentan-1-ol
CID 66090060

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol?
The IUPAC name of 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol (CID 19823723) is 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol.
What is the SMILES notation for 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol?
The canonical SMILES for 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol is CCC(O)(CC)CC(N)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol?
The InChIKey is DPKHTWWAHOWTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-16(20,4-2)12-15(19)17(9-6-10-17)13-7-5-8-14(18)11-13/h5,7-8,11,15,20H,3-4,6,9-10,12,19H2,1-2H3.
What are the key properties of 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol?
1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol has a molecular weight of 295.85 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-ethylpentan-3-ol is sourced from PubChem (CID 19823723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).