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

C15H23NO — CID 43634759

IUPAC2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
SMILESCCC(CO)NC1CC(c2ccccc2C)C1
InChIInChI=1S/C15H23NO/c1-3-13(10-17)16-14-8-12(9-14)15-7-5-4-6-11(15)2/h4-7,12-14,16-17H,3,8-10H2,1-2H3
InChIKeyQBWCCLVRQJQSKR-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.60
Rot. Bonds5

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

2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol (PubChem CID 43634759) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
PubChem CID43634759
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
SMILESCCC(CO)NC1CC(c2ccccc2C)C1
InChIInChI=1S/C15H23NO/c1-3-13(10-17)16-14-8-12(9-14)15-7-5-4-6-11(15)2/h4-7,12-14,16-17H,3,8-10H2,1-2H3
InChIKeyQBWCCLVRQJQSKR-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634747
N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54949555
3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632723
N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635375
2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid
CID 122039850
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634758
3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902696
4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126
(2R)-2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]butan-1-ol
CID 103922465
methyl (2S)-3-methyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]butanoate
CID 61142568
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol (CID 43634759) is 2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol is CCC(CO)NC1CC(c2ccccc2C)C1.
What is the InChIKey of 2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol?
The InChIKey is QBWCCLVRQJQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-13(10-17)16-14-8-12(9-14)15-7-5-4-6-11(15)2/h4-7,12-14,16-17H,3,8-10H2,1-2H3.
What are the key properties of 2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol?
2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 43634759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).