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

C16H26N2O — CID 61451709

IUPACN'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CC(N)c1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C16H26N2O/c1-12-4-5-14(10-13(12)2)16(17)11-18(8-9-19-3)15-6-7-15/h4-5,10,15-16H,6-9,11,17H2,1-3H3
InChIKeyADWUDCKJJKMKSF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds7

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

N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 61451709) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID61451709
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CC(N)c1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C16H26N2O/c1-12-4-5-14(10-13(12)2)16(17)11-18(8-9-19-3)15-6-7-15/h4-5,10,15-16H,6-9,11,17H2,1-3H3
InChIKeyADWUDCKJJKMKSF-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451670
1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 60970438
2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone
CID 61451944
1-(1,3-benzodioxol-5-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 43264160
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63466998
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62546580
N'-cyclopropyl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43270345
1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine
CID 64651043
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973652
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine (CID 61451709) is N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine is COCCN(CC(N)c1ccc(C)c(C)c1)C1CC1.
What is the InChIKey of N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is ADWUDCKJJKMKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-4-5-14(10-13(12)2)16(17)11-18(8-9-19-3)15-6-7-15/h4-5,10,15-16H,6-9,11,17H2,1-3H3.
What are the key properties of N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 61451709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).