1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

C16H26N2O — CID 55258622

IUPAC1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCNC(CN(C)CC1CC1C)c1ccccc1OC
InChIInChI=1S/C16H26N2O/c1-12-9-13(12)10-18(3)11-15(17-2)14-7-5-6-8-16(14)19-4/h5-8,12-13,15,17H,9-11H2,1-4H3
InChIKeyPIWUWBABPSXPGN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.54
Rot. Bonds7

About 1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 55258622) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID55258622
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCNC(CN(C)CC1CC1C)c1ccccc1OC
InChIInChI=1S/C16H26N2O/c1-12-9-13(12)10-18(3)11-15(17-2)14-7-5-6-8-16(14)19-4/h5-8,12-13,15,17H,9-11H2,1-4H3
InChIKeyPIWUWBABPSXPGN-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63878903
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63866126
N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63880271
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63879579
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
1-(2-methoxyphenyl)-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63686193
1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 82732241
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62985012
1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954416
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79060890

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (CID 55258622) is 1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is CNC(CN(C)CC1CC1C)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is PIWUWBABPSXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-13(12)10-18(3)11-15(17-2)14-7-5-6-8-16(14)19-4/h5-8,12-13,15,17H,9-11H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55258622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).