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

C14H22N2O — CID 82754279

IUPACN'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCc1ccc(NCCN(C)C2CCOC2)cc1
InChIInChI=1S/C14H22N2O/c1-12-3-5-13(6-4-12)15-8-9-16(2)14-7-10-17-11-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyWWPHBHBLUAINCF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.13
Rot. Bonds5

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

N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82754279) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82754279
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCc1ccc(NCCN(C)C2CCOC2)cc1
InChIInChI=1S/C14H22N2O/c1-12-3-5-13(6-4-12)15-8-9-16(2)14-7-10-17-11-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyWWPHBHBLUAINCF-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754729
N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82739830
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754007
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82740088
N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 62555539
N-butyl-N-methyloxolan-3-amine
CID 154189060
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
CID 82983002

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82754279) is N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine is Cc1ccc(NCCN(C)C2CCOC2)cc1.
What is the InChIKey of N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is WWPHBHBLUAINCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-3-5-13(6-4-12)15-8-9-16(2)14-7-10-17-11-14/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82754279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).