N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine

C16H28N2O — CID 79087347

IUPACN,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccccc1OC
InChIInChI=1S/C16H28N2O/c1-5-17-15(12-13-18(6-2)7-3)14-10-8-9-11-16(14)19-4/h8-11,15,17H,5-7,12-13H2,1-4H3
InChIKeyYJXJGZAJZLSCCR-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.08
Rot. Bonds9

About N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine

N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine (PubChem CID 79087347) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
PubChem CID79087347
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccccc1OC
InChIInChI=1S/C16H28N2O/c1-5-17-15(12-13-18(6-2)7-3)14-10-8-9-11-16(14)19-4/h8-11,15,17H,5-7,12-13H2,1-4H3
InChIKeyYJXJGZAJZLSCCR-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-hydrazinyl-3-(2-methoxyphenyl)propan-1-amine
CID 105243936
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine
CID 103433692
N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 43194008
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087248
1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
CID 63483594
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 79480262
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62985012
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914

Frequently Asked Questions

What is the IUPAC name of N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine (CID 79087347) is N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine is CCNC(CCN(CC)CC)c1ccccc1OC.
What is the InChIKey of N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine?
The InChIKey is YJXJGZAJZLSCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-17-15(12-13-18(6-2)7-3)14-10-8-9-11-16(14)19-4/h8-11,15,17H,5-7,12-13H2,1-4H3.
What are the key properties of N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine?
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 79087347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).