1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol

C14H20ClNO — CID 65103831

IUPAC1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO/c1-14(2,17)9-16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,11,13,16-17H,7-9H2,1-2H3
InChIKeyAXTSRUKZHDVUPZ-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.95
Rot. Bonds4

About 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol

1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol (PubChem CID 65103831) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
PubChem CID65103831
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO/c1-14(2,17)9-16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,11,13,16-17H,7-9H2,1-2H3
InChIKeyAXTSRUKZHDVUPZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-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-N-[3-(3-chlorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43634275
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
CID 54921027
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635314
N-[3-(3-chlorophenyl)cyclobutyl]-N',N'-diethylethane-1,2-diamine
CID 43633399
3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634506
4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid
CID 60782735
3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine
CID 79547861
3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 79756518
2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 104530190
(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634758
2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 66178527

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol (CID 65103831) is 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol is CC(C)(O)CNC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol?
The InChIKey is AXTSRUKZHDVUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(2,17)9-16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,11,13,16-17H,7-9H2,1-2H3.
What are the key properties of 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol?
1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol has a molecular weight of 253.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 65103831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).