1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine

C15H24N2O — CID 82735465

IUPAC1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)C2CCOC2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-4-5-14(12(2)8-11)15(16)9-17(3)13-6-7-18-10-13/h4-5,8,13,15H,6-7,9-10,16H2,1-3H3
InChIKeyXFFMJLXGRRDSGU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.02
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine

1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82735465) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82735465
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)C2CCOC2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-4-5-14(12(2)8-11)15(16)9-17(3)13-6-7-18-10-13/h4-5,8,13,15H,6-7,9-10,16H2,1-3H3
InChIKeyXFFMJLXGRRDSGU-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 43611052
N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734629
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734412
N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine
CID 43270354
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 43103531
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
CID 82983002
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
[(2,4-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229339
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82735465) is 1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is Cc1ccc(C(N)CN(C)C2CCOC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is XFFMJLXGRRDSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-4-5-14(12(2)8-11)15(16)9-17(3)13-6-7-18-10-13/h4-5,8,13,15H,6-7,9-10,16H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82735465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).