N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C16H28N2O — CID 55126526

IUPACN-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccc(C(C)NCCN(C)CCOC)cc1
InChIInChI=1S/C16H28N2O/c1-5-15-6-8-16(9-7-15)14(2)17-10-11-18(3)12-13-19-4/h6-9,14,17H,5,10-13H2,1-4H3
InChIKeyCZLPENMPBUVUBY-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.48
Rot. Bonds9

About N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 55126526) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID55126526
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccc(C(C)NCCN(C)CCOC)cc1
InChIInChI=1S/C16H28N2O/c1-5-15-6-8-16(9-7-15)14(2)17-10-11-18(3)12-13-19-4/h6-9,14,17H,5,10-13H2,1-4H3
InChIKeyCZLPENMPBUVUBY-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenol
CID 55126811
N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844461
N'-(2-methoxyethyl)-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 55126860
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N'-(2-methoxyethyl)-N'-methyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 62843413
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314482
N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
CID 61418340
N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103910607
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 62844651
N-[3-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenyl]acetamide
CID 62844299
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 55126526) is N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is CCc1ccc(C(C)NCCN(C)CCOC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is CZLPENMPBUVUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-15-6-8-16(9-7-15)14(2)17-10-11-18(3)12-13-19-4/h6-9,14,17H,5,10-13H2,1-4H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55126526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).