N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine

C17H28N2O2 — CID 103716850

IUPACN'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCNC(C)c1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C17H28N2O2/c1-5-19(15-7-8-15)11-10-18-13(2)14-6-9-16(20-3)17(12-14)21-4/h6,9,12-13,15,18H,5,7-8,10-11H2,1-4H3
InChIKeyKSLKBPNCQTWWGE-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds9

About N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine

N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine (PubChem CID 103716850) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine
PubChem CID103716850
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCNC(C)c1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C17H28N2O2/c1-5-19(15-7-8-15)11-10-18-13(2)14-6-9-16(20-3)17(12-14)21-4/h6,9,12-13,15,18H,5,7-8,10-11H2,1-4H3
InChIKeyKSLKBPNCQTWWGE-UHFFFAOYSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 103780414
N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 113261023
N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634707
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 103780486
N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine
CID 115716023
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314672
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51107745

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine (CID 103716850) is N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine is CCN(CCNC(C)c1ccc(OC)c(OC)c1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine?
The InChIKey is KSLKBPNCQTWWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-19(15-7-8-15)11-10-18-13(2)14-6-9-16(20-3)17(12-14)21-4/h6,9,12-13,15,18H,5,7-8,10-11H2,1-4H3.
What are the key properties of N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine?
N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103716850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).