N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine

C18H32N2O — CID 81035781

IUPACN'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CCOC(C)C)c1ccc(C)cc1
InChIInChI=1S/C18H32N2O/c1-6-11-19-18(17-9-7-16(4)8-10-17)14-20(5)12-13-21-15(2)3/h7-10,15,18-19H,6,11-14H2,1-5H3
InChIKeyOVHYOKUGTGTDDX-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.39
Rot. Bonds10

About N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine

N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine (PubChem CID 81035781) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
PubChem CID81035781
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CCOC(C)C)c1ccc(C)cc1
InChIInChI=1S/C18H32N2O/c1-6-11-19-18(17-9-7-16(4)8-10-17)14-20(5)12-13-21-15(2)3/h7-10,15,18-19H,6,11-14H2,1-5H3
InChIKeyOVHYOKUGTGTDDX-UHFFFAOYSA-N
XLogP3.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63693085
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81035249
1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469252
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 81037022
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propan-1-ol
CID 81063408
N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189
N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63470309
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
3-propan-2-yloxy-N-propyl-1-pyridin-4-ylpropan-1-amine
CID 115001910
2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol
CID 81061903
1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81056677

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine (CID 81035781) is N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine is CCCNC(CN(C)CCOC(C)C)c1ccc(C)cc1.
What is the InChIKey of N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine?
The InChIKey is OVHYOKUGTGTDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-11-19-18(17-9-7-16(4)8-10-17)14-20(5)12-13-21-15(2)3/h7-10,15,18-19H,6,11-14H2,1-5H3.
What are the key properties of N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine?
N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 81035781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).