1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine

C16H28N2O2 — CID 43571892

IUPAC1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)c1cc(OC)ccc1OC
InChIInChI=1S/C16H28N2O2/c1-6-7-12(2)18(3)15(11-17)14-10-13(19-4)8-9-16(14)20-5/h8-10,12,15H,6-7,11,17H2,1-5H3
InChIKeyFIURJILSSSSAMV-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.82
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine

1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine (PubChem CID 43571892) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
PubChem CID43571892
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)c1cc(OC)ccc1OC
InChIInChI=1S/C16H28N2O2/c1-6-7-12(2)18(3)15(11-17)14-10-13(19-4)8-9-16(14)20-5/h8-10,12,15H,6-7,11,17H2,1-5H3
InChIKeyFIURJILSSSSAMV-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571921
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(2,5-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 16642878
2-(2,5-dimethoxyphenyl)hexan-3-amine
CID 83047231
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
N-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43263961
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 54884298
1-(2,5-dimethoxyphenyl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79842302
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 63954730
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658610

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine (CID 43571892) is 1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine is CCCC(C)N(C)C(CN)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The InChIKey is FIURJILSSSSAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-7-12(2)18(3)15(11-17)14-10-13(19-4)8-9-16(14)20-5/h8-10,12,15H,6-7,11,17H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 43571892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).