N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine

C16H26N2O2 — CID 43569070

IUPACN'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(N)CN(C)C(C)C2CC2)c1
InChIInChI=1S/C16H26N2O2/c1-11(12-5-6-12)18(2)10-15(17)14-9-13(19-3)7-8-16(14)20-4/h7-9,11-12,15H,5-6,10,17H2,1-4H3
InChIKeyJXMHKQXVMRQWOQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds7

About N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine

N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 43569070) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID43569070
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(N)CN(C)C(C)C2CC2)c1
InChIInChI=1S/C16H26N2O2/c1-11(12-5-6-12)18(2)10-15(17)14-9-13(19-3)7-8-16(14)20-4/h7-9,11-12,15H,5-6,10,17H2,1-4H3
InChIKeyJXMHKQXVMRQWOQ-UHFFFAOYSA-N
XLogP2.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43570017
N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 16790532
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734412
N'-(1-cyclopropylethyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43569043
1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163900
N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519713
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2,4-dimethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453473
2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene
CID 83149195
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 54884298
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
CID 65411014

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine (CID 43569070) is N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine is COc1ccc(OC)c(C(N)CN(C)C(C)C2CC2)c1.
What is the InChIKey of N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is JXMHKQXVMRQWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(12-5-6-12)18(2)10-15(17)14-9-13(19-3)7-8-16(14)20-4/h7-9,11-12,15H,5-6,10,17H2,1-4H3.
What are the key properties of N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine?
N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 43569070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).