3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine

C14H21NO — CID 65019826

IUPAC3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
SMILESCC(C)c1ccc(CC2(N)CCOC2)cc1
InChIInChI=1S/C14H21NO/c1-11(2)13-5-3-12(4-6-13)9-14(15)7-8-16-10-14/h3-6,11H,7-10,15H2,1-2H3
InChIKeyJHSBHERRKWNQSW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.47
Rot. Bonds3

About 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine

3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine (PubChem CID 65019826) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
PubChem CID65019826
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
SMILESCC(C)c1ccc(CC2(N)CCOC2)cc1
InChIInChI=1S/C14H21NO/c1-11(2)13-5-3-12(4-6-13)9-14(15)7-8-16-10-14/h3-6,11H,7-10,15H2,1-2H3
InChIKeyJHSBHERRKWNQSW-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-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

3-[(4-chlorophenyl)methyl]oxolan-3-amine
CID 65019655
3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 80705541
[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930450
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine
CID 65020049
3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 107430055
1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene
CID 153389368
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
CID 65020052
4-[(3-fluorooxolan-3-yl)methyl]aniline
CID 84720460
[1-[(4-propan-2-ylphenyl)methyl]cyclopentyl]methanol
CID 66026116
[1-[(4-propan-2-ylphenyl)methyl]cyclohexyl]methanol
CID 66024781
N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 171679438

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine?
The IUPAC name of 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine (CID 65019826) is 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine is CC(C)c1ccc(CC2(N)CCOC2)cc1.
What is the InChIKey of 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine?
The InChIKey is JHSBHERRKWNQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)13-5-3-12(4-6-13)9-14(15)7-8-16-10-14/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine?
3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 65019826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).