3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol

C16H24ClNO — CID 106348762

IUPAC3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C16H24ClNO/c1-11(2)16(7-8-19)18-13-9-12(10-13)14-5-3-4-6-15(14)17/h3-6,11-13,16,18-19H,7-10H2,1-2H3
InChIKeyGQUMMYCPGYUXPY-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.58
Rot. Bonds6

About 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol

3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol (PubChem CID 106348762) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol
PubChem CID106348762
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C16H24ClNO/c1-11(2)16(7-8-19)18-13-9-12(10-13)14-5-3-4-6-15(14)17/h3-6,11-13,16,18-19H,7-10H2,1-2H3
InChIKeyGQUMMYCPGYUXPY-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-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

2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634747
3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine
CID 43635714
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol
CID 103786504
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate
CID 43732446
(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874
2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol
CID 61238598
3-[(3-methoxycyclobutyl)amino]-4-methylpentan-1-ol
CID 104871769
3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
CID 113250283
N-[3-(2-chlorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634888
1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246004
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
CID 106172971
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate
CID 43632755

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol (CID 106348762) is 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol is CC(C)C(CCO)NC1CC(c2ccccc2Cl)C1.
What is the InChIKey of 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol?
The InChIKey is GQUMMYCPGYUXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(2)16(7-8-19)18-13-9-12(10-13)14-5-3-4-6-15(14)17/h3-6,11-13,16,18-19H,7-10H2,1-2H3.
What are the key properties of 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol?
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol has a molecular weight of 281.83 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106348762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).