1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine

C17H27NO — CID 65164754

IUPAC1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
SMILESCc1cc(C)cc(CC(N)CCCC2CCCO2)c1
InChIInChI=1S/C17H27NO/c1-13-9-14(2)11-15(10-13)12-16(18)5-3-6-17-7-4-8-19-17/h9-11,16-17H,3-8,12,18H2,1-2H3
InChIKeyYLFCSYLDFONOBQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.52
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine

1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 65164754) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
PubChem CID65164754
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
SMILESCc1cc(C)cc(CC(N)CCCC2CCCO2)c1
InChIInChI=1S/C17H27NO/c1-13-9-14(2)11-15(10-13)12-16(18)5-3-6-17-7-4-8-19-17/h9-11,16-17H,3-8,12,18H2,1-2H3
InChIKeyYLFCSYLDFONOBQ-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(oxolan-2-yl)-1-pyridin-4-ylpentan-2-amine
CID 65164603
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine
CID 65166119
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164797
1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine (CID 65164754) is 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine is Cc1cc(C)cc(CC(N)CCCC2CCCO2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is YLFCSYLDFONOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-14(2)11-15(10-13)12-16(18)5-3-6-17-7-4-8-19-17/h9-11,16-17H,3-8,12,18H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine?
1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 65164754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).