1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine

C14H21NO — CID 62800857

IUPAC1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
SMILESCc1ccc(C(N)CC2CCCO2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-5-6-13(11(2)8-10)14(15)9-12-4-3-7-16-12/h5-6,8,12,14H,3-4,7,9,15H2,1-2H3
InChIKeyGKANMBDKILCNAV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.87
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine

1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 62800857) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
PubChem CID62800857
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
SMILESCc1ccc(C(N)CC2CCCO2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-5-6-13(11(2)8-10)14(15)9-12-4-3-7-16-12/h5-6,8,12,14H,3-4,7,9,15H2,1-2H3
InChIKeyGKANMBDKILCNAV-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine 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

1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane
CID 65157773
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
2-[bromo-(2,4-dimethylphenyl)methyl]oxolane
CID 61097286
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
CID 113391540
1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 65154803
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 65104547
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine (CID 62800857) is 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine is Cc1ccc(C(N)CC2CCCO2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is GKANMBDKILCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-6-13(11(2)8-10)14(15)9-12-4-3-7-16-12/h5-6,8,12,14H,3-4,7,9,15H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine?
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62800857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).