N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine

C15H24N2O2 — CID 104745755

IUPACN'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)c1ccc(OC)cc1)C1CCOC1
InChIInChI=1S/C15H24N2O2/c1-16-15(12-8-9-19-11-12)10-17(2)13-4-6-14(18-3)7-5-13/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyASTUWYZVQUUIKN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.76
Rot. Bonds6

About N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine

N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104745755) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104745755
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)c1ccc(OC)cc1)C1CCOC1
InChIInChI=1S/C15H24N2O2/c1-16-15(12-8-9-19-11-12)10-17(2)13-4-6-14(18-3)7-5-13/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyASTUWYZVQUUIKN-UHFFFAOYSA-N
XLogP1.76
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745807
N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745839
1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 104745745
1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 104745754
N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746836
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol
CID 117237928
N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 104744988
N'-[(2-fluorophenyl)methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745092
N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745779
N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745738

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104745755) is N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine is CNC(CN(C)c1ccc(OC)cc1)C1CCOC1.
What is the InChIKey of N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is ASTUWYZVQUUIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-15(12-8-9-19-11-12)10-17(2)13-4-6-14(18-3)7-5-13/h4-7,12,15-16H,8-11H2,1-3H3.
What are the key properties of N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).