1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine

C16H28N2O — CID 43570986

IUPAC1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
SMILESCCOc1ccccc1C(N)CN(C)C(CC)CC
InChIInChI=1S/C16H28N2O/c1-5-13(6-2)18(4)12-15(17)14-10-8-9-11-16(14)19-7-3/h8-11,13,15H,5-7,12,17H2,1-4H3
InChIKeyQIAFTCNKUCHSPT-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.21
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine

1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 43570986) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
PubChem CID43570986
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
SMILESCCOc1ccccc1C(N)CN(C)C(CC)CC
InChIInChI=1S/C16H28N2O/c1-5-13(6-2)18(4)12-15(17)14-10-8-9-11-16(14)19-7-3/h8-11,13,15H,5-7,12,17H2,1-4H3
InChIKeyQIAFTCNKUCHSPT-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16788139
1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61451424
1-(2-ethoxyphenyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 43295700
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 55228302
N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine
CID 43125934
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
1-(2-ethoxyphenyl)-3-methylpentan-1-amine
CID 115533625
1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570790
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine (CID 43570986) is 1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine is CCOc1ccccc1C(N)CN(C)C(CC)CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is QIAFTCNKUCHSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-13(6-2)18(4)12-15(17)14-10-8-9-11-16(14)19-7-3/h8-11,13,15H,5-7,12,17H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 43570986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).