2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol

C18H29NO — CID 66178527

IUPAC2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
SMILESCc1cccc(C2CC(NCC(C)(O)CC(C)C)C2)c1
InChIInChI=1S/C18H29NO/c1-13(2)11-18(4,20)12-19-17-9-16(10-17)15-7-5-6-14(3)8-15/h5-8,13,16-17,19-20H,9-12H2,1-4H3
InChIKeyKZTHFYABDJFQHJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.63
Rot. Bonds6

About 2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol

2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol (PubChem CID 66178527) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
PubChem CID66178527
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
SMILESCc1cccc(C2CC(NCC(C)(O)CC(C)C)C2)c1
InChIInChI=1S/C18H29NO/c1-13(2)11-18(4,20)12-19-17-9-16(10-17)15-7-5-6-14(3)8-15/h5-8,13,16-17,19-20H,9-12H2,1-4H3
InChIKeyKZTHFYABDJFQHJ-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol
CID 66181051
2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 104530190
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66179964
N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine
CID 43633047
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66181283
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 80526459
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
CID 65103831
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol (CID 66178527) is 2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol is Cc1cccc(C2CC(NCC(C)(O)CC(C)C)C2)c1.
What is the InChIKey of 2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol?
The InChIKey is KZTHFYABDJFQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)11-18(4,20)12-19-17-9-16(10-17)15-7-5-6-14(3)8-15/h5-8,13,16-17,19-20H,9-12H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol?
2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol has a molecular weight of 275.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol is sourced from PubChem (CID 66178527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).