N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine

C17H30N2O — CID 63009908

IUPACN-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
SMILESCCNC(CCN(C)CCCOC)c1ccccc1C
InChIInChI=1S/C17H30N2O/c1-5-18-17(16-10-7-6-9-15(16)2)11-13-19(3)12-8-14-20-4/h6-7,9-10,17-18H,5,8,11-14H2,1-4H3
InChIKeyZTCFEQLUGPTJTF-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds10

About N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine

N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine (PubChem CID 63009908) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
PubChem CID63009908
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
SMILESCCNC(CCN(C)CCCOC)c1ccccc1C
InChIInChI=1S/C17H30N2O/c1-5-18-17(16-10-7-6-9-15(16)2)11-13-19(3)12-8-14-20-4/h6-7,9-10,17-18H,5,8,11-14H2,1-4H3
InChIKeyZTCFEQLUGPTJTF-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63010100
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62985012
N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693986
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895
N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
CID 105094581
N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002194

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine (CID 63009908) is N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine is CCNC(CCN(C)CCCOC)c1ccccc1C.
What is the InChIKey of N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is ZTCFEQLUGPTJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-18-17(16-10-7-6-9-15(16)2)11-13-19(3)12-8-14-20-4/h6-7,9-10,17-18H,5,8,11-14H2,1-4H3.
What are the key properties of N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 63009908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).