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

C14H20ClNO — CID 43634758

IUPAC2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
SMILESCCC(CO)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO/c1-2-13(9-17)16-14-7-11(8-14)10-4-3-5-12(15)6-10/h3-6,11,13-14,16-17H,2,7-9H2,1H3
InChIKeyYRFDRFZRUWSKRS-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.95
Rot. Bonds5

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

2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol (PubChem CID 43634758) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
PubChem CID43634758
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
SMILESCCC(CO)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO/c1-2-13(9-17)16-14-7-11(8-14)10-4-3-5-12(15)6-10/h3-6,11,13-14,16-17H,2,7-9H2,1H3
InChIKeyYRFDRFZRUWSKRS-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874
3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954950
3-(3-chlorophenyl)-N-hex-1-yn-3-ylcyclobutan-1-amine
CID 106226917
2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634747
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 61498206
3-(3-chlorophenyl)-N-(5-methylhexan-2-yl)cyclobutan-1-amine
CID 43634179
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
CID 106344516
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 43634759
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749409
1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
CID 65103831

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol (CID 43634758) is 2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol is CCC(CO)NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol?
The InChIKey is YRFDRFZRUWSKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-13(9-17)16-14-7-11(8-14)10-4-3-5-12(15)6-10/h3-6,11,13-14,16-17H,2,7-9H2,1H3.
What are the key properties of 2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol?
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 43634758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).