N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine

C16H26N2O3 — CID 61451670

IUPACN'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CC(N)c1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C16H26N2O3/c1-19-9-8-18(13-5-6-13)11-14(17)12-4-7-15(20-2)16(10-12)21-3/h4,7,10,13-14H,5-6,8-9,11,17H2,1-3H3
InChIKeySCXWKQAYSIKFME-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.81
Rot. Bonds9

About N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine

N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 61451670) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID61451670
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CC(N)c1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C16H26N2O3/c1-19-9-8-18(13-5-6-13)11-14(17)12-4-7-15(20-2)16(10-12)21-3/h4,7,10,13-14H,5-6,8-9,11,17H2,1-3H3
InChIKeySCXWKQAYSIKFME-UHFFFAOYSA-N
XLogP1.81
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451709
1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine
CID 43271198
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 60970438
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62019654
N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 103716850
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106785333

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine (CID 61451670) is N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine is COCCN(CC(N)c1ccc(OC)c(OC)c1)C1CC1.
What is the InChIKey of N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is SCXWKQAYSIKFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-19-9-8-18(13-5-6-13)11-14(17)12-4-7-15(20-2)16(10-12)21-3/h4,7,10,13-14H,5-6,8-9,11,17H2,1-3H3.
What are the key properties of N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 61451670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).