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

C14H20ClNO — CID 43634747

IUPAC2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol
SMILESCCC(CO)NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO/c1-2-11(9-17)16-12-7-10(8-12)13-5-3-4-6-14(13)15/h3-6,10-12,16-17H,2,7-9H2,1H3
InChIKeyYNJQSRIKCCGGQA-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.95
Rot. Bonds5

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

2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol (PubChem CID 43634747) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol
PubChem CID43634747
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol
SMILESCCC(CO)NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO/c1-2-11(9-17)16-12-7-10(8-12)13-5-3-4-6-14(13)15/h3-6,10-12,16-17H,2,7-9H2,1H3
InChIKeyYNJQSRIKCCGGQA-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

2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 43634759
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634758
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol
CID 106348762
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate
CID 43732446
3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632723
3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine
CID 43635714
benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 103392923
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
CID 106172971
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate
CID 43632755
2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol
CID 61238598

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol (CID 43634747) is 2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol is CCC(CO)NC1CC(c2ccccc2Cl)C1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol?
The InChIKey is YNJQSRIKCCGGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-11(9-17)16-12-7-10(8-12)13-5-3-4-6-14(13)15/h3-6,10-12,16-17H,2,7-9H2,1H3.
What are the key properties of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol?
2-[[3-(2-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-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 43634747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).