N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C16H28N2O2 — CID 62634707

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(C(C)NCCN(C)C(C)C)cc1OC
InChIInChI=1S/C16H28N2O2/c1-12(2)18(4)10-9-17-13(3)14-7-8-15(19-5)16(11-14)20-6/h7-8,11-13,17H,9-10H2,1-6H3
InChIKeyFBWDREARESBCDL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.69
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62634707) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62634707
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(C(C)NCCN(C)C(C)C)cc1OC
InChIInChI=1S/C16H28N2O2/c1-12(2)18(4)10-9-17-13(3)14-7-8-15(19-5)16(11-14)20-6/h7-8,11-13,17H,9-10H2,1-6H3
InChIKeyFBWDREARESBCDL-UHFFFAOYSA-N
XLogP2.69
TPSA33.73 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636259
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103881310
N-[1-(3,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097372
N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 103716850
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
N-[1-(4-bromophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636249
5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
CID 107706480
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 15808336
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62634707) is N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is COc1ccc(C(C)NCCN(C)C(C)C)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is FBWDREARESBCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)18(4)10-9-17-13(3)14-7-8-15(19-5)16(11-14)20-6/h7-8,11-13,17H,9-10H2,1-6H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62634707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).