1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

C18H29NO — CID 65156280

IUPAC1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H29NO/c1-4-11-19-18(10-9-17-6-5-12-20-17)16-8-7-14(2)15(3)13-16/h7-8,13,17-19H,4-6,9-12H2,1-3H3
InChIKeyBIHDOUYMUMSDNM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.30
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 65156280) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID65156280
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H29NO/c1-4-11-19-18(10-9-17-6-5-12-20-17)16-8-7-14(2)15(3)13-16/h7-8,13,17-19H,4-6,9-12H2,1-3H3
InChIKeyBIHDOUYMUMSDNM-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-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

1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(3-bromo-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156181
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156974
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 65156280) is 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is BIHDOUYMUMSDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-11-19-18(10-9-17-6-5-12-20-17)16-8-7-14(2)15(3)13-16/h7-8,13,17-19H,4-6,9-12H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 65156280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).