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

C14H22N2O — CID 82735457

IUPACN'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCc1cccc(C(N)CN(C)C2CCOC2)c1
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-12(8-11)14(15)9-16(2)13-6-7-17-10-13/h3-5,8,13-14H,6-7,9-10,15H2,1-2H3
InChIKeyOPHWTKJEXBTZIT-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.72
Rot. Bonds4

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

N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82735457) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82735457
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCc1cccc(C(N)CN(C)C2CCOC2)c1
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-12(8-11)14(15)9-16(2)13-6-7-17-10-13/h3-5,8,13-14H,6-7,9-10,15H2,1-2H3
InChIKeyOPHWTKJEXBTZIT-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308548
1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735465
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
CID 82754768
N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734629
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743687
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
N'-(1-cyclopropylethyl)-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61309492
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739201
1-(3-methylphenyl)-2-morpholin-3-ylethanamine
CID 116941527
3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile
CID 82738157
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734412

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82735457) is N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine is Cc1cccc(C(N)CN(C)C2CCOC2)c1.
What is the InChIKey of N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is OPHWTKJEXBTZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-3-5-12(8-11)14(15)9-16(2)13-6-7-17-10-13/h3-5,8,13-14H,6-7,9-10,15H2,1-2H3.
What are the key properties of N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82735457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).