1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine

C16H28N2O2 — CID 43273497

IUPAC1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CC(C)C)C(CN)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H28N2O2/c1-6-18(11-12(2)3)14(10-17)13-7-8-15(19-4)16(9-13)20-5/h7-9,12,14H,6,10-11,17H2,1-5H3
InChIKeyGXWGTUQJDOKXDA-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.68
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine

1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 43273497) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID43273497
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CC(C)C)C(CN)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H28N2O2/c1-6-18(11-12(2)3)14(10-17)13-7-8-15(19-4)16(9-13)20-5/h7-9,12,14H,6,10-11,17H2,1-5H3
InChIKeyGXWGTUQJDOKXDA-UHFFFAOYSA-N
XLogP2.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273515
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273492
1-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65021783
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 106817259
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233
1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 63470604
1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 60874089
1-(2,3-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273499
N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 61437202
N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 63208197
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 65021962
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 43273497) is 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine is CCN(CC(C)C)C(CN)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is GXWGTUQJDOKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-18(11-12(2)3)14(10-17)13-7-8-15(19-4)16(9-13)20-5/h7-9,12,14H,6,10-11,17H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 43273497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).