2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C18H32N2O — CID 63493334

IUPAC2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(C)c1ccc(OC)cc1
InChIInChI=1S/C18H32N2O/c1-7-18(4,13-19-12-15(2)3)14-20(5)16-8-10-17(21-6)11-9-16/h8-11,15,19H,7,12-14H2,1-6H3
InChIKeyCFPRGIXAYHTUMB-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.79
Rot. Bonds9

About 2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 63493334) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID63493334
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(C)c1ccc(OC)cc1
InChIInChI=1S/C18H32N2O/c1-7-18(4,13-19-12-15(2)3)14-20(5)16-8-10-17(21-6)11-9-16/h8-11,15,19H,7,12-14H2,1-6H3
InChIKeyCFPRGIXAYHTUMB-UHFFFAOYSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine
CID 62260445
N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62258901
N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260624
2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260071
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol
CID 66453906
N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55197122
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384
2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 62261498
4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257725
2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
CID 63482502

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 63493334) is 2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CCC(C)(CNCC(C)C)CN(C)c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is CFPRGIXAYHTUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-18(4,13-19-12-15(2)3)14-20(5)16-8-10-17(21-6)11-9-16/h8-11,15,19H,7,12-14H2,1-6H3.
What are the key properties of 2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63493334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).