N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine

C16H28N2O — CID 82949092

IUPACN'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCNC(CN(CCOC)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H28N2O/c1-13(2)18(10-11-19-5)12-16(17-4)15-8-6-14(3)7-9-15/h6-9,13,16-17H,10-12H2,1-5H3
InChIKeyOYLUFIAHLOUYDS-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.61
Rot. Bonds8

About N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine

N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 82949092) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID82949092
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCNC(CN(CCOC)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H28N2O/c1-13(2)18(10-11-19-5)12-16(17-4)15-8-6-14(3)7-9-15/h6-9,13,16-17H,10-12H2,1-5H3
InChIKeyOYLUFIAHLOUYDS-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618960
N-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82940916
4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 55099227
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
N,N-bis(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 60709846
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62645417
1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63468338
2-N-(2-methoxyethyl)-2-N-methyl-1-(4-methylphenyl)propane-1,2-diamine
CID 61426974
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 79477638

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine (CID 82949092) is N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine is CNC(CN(CCOC)C(C)C)c1ccc(C)cc1.
What is the InChIKey of N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is OYLUFIAHLOUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)18(10-11-19-5)12-16(17-4)15-8-6-14(3)7-9-15/h6-9,13,16-17H,10-12H2,1-5H3.
What are the key properties of N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine?
N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 82949092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).