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

C17H27NO — CID 104530190

IUPAC2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
SMILESCCCC(C)(O)CNC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C17H27NO/c1-4-8-17(3,19)12-18-16-10-15(11-16)14-7-5-6-13(2)9-14/h5-7,9,15-16,18-19H,4,8,10-12H2,1-3H3
InChIKeyLWDCCFNFXNCACV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.38
Rot. Bonds6

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

2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol (PubChem CID 104530190) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
PubChem CID104530190
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
SMILESCCCC(C)(O)CNC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C17H27NO/c1-4-8-17(3,19)12-18-16-10-15(11-16)14-7-5-6-13(2)9-14/h5-7,9,15-16,18-19H,4,8,10-12H2,1-3H3
InChIKeyLWDCCFNFXNCACV-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 66178527
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine
CID 43633047
2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
CID 103783342
3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 80526459
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
CID 65103831
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
3-(3-methylphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115517006
N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530348
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol (CID 104530190) is 2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol is CCCC(C)(O)CNC1CC(c2cccc(C)c2)C1.
What is the InChIKey of 2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol?
The InChIKey is LWDCCFNFXNCACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-8-17(3,19)12-18-16-10-15(11-16)14-7-5-6-13(2)9-14/h5-7,9,15-16,18-19H,4,8,10-12H2,1-3H3.
What are the key properties of 2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol?
2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol is sourced from PubChem (CID 104530190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).