2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine

C16H28N2O — CID 55055981

IUPAC2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H28N2O/c1-5-16(6-2,12-17)13-18(3)11-14-8-7-9-15(10-14)19-4/h7-10H,5-6,11-13,17H2,1-4H3
InChIKeyPXSDVMHBONJWJS-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.89
Rot. Bonds8

About 2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine

2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 55055981) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID55055981
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H28N2O/c1-5-16(6-2,12-17)13-18(3)11-14-8-7-9-15(10-14)19-4/h7-10H,5-6,11-13,17H2,1-4H3
InChIKeyPXSDVMHBONJWJS-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62724504
2-ethyl-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]butanal
CID 55051892
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 55055189
methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620273
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 114290441
N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253981
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
CID 61420226
N'-[(3-methoxyphenyl)methyl]-N'-methylbut-2-ene-1,4-diamine
CID 77110782
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271920

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine (CID 55055981) is 2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine is CCC(CC)(CN)CN(C)Cc1cccc(OC)c1.
What is the InChIKey of 2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is PXSDVMHBONJWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-16(6-2,12-17)13-18(3)11-14-8-7-9-15(10-14)19-4/h7-10H,5-6,11-13,17H2,1-4H3.
What are the key properties of 2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine?
2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 55055981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).