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

C16H28N2O — CID 43570790

IUPAC1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCOc1ccccc1C(CN)N(C)C(CC)CC
InChIInChI=1S/C16H28N2O/c1-5-13(6-2)18(4)15(12-17)14-10-8-9-11-16(14)19-7-3/h8-11,13,15H,5-7,12,17H2,1-4H3
InChIKeyGLPRADLTTMGWMW-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 43570790) 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 CID43570790
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCOc1ccccc1C(CN)N(C)C(CC)CC
InChIInChI=1S/C16H28N2O/c1-5-13(6-2)18(4)15(12-17)14-10-8-9-11-16(14)19-7-3/h8-11,13,15H,5-7,12,17H2,1-4H3
InChIKeyGLPRADLTTMGWMW-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-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569806
N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43568904
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
1-(2-ethoxyphenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43180434
1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570986
1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43564017
1-(2,3-dimethoxyphenyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 115985647
N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 43270179
2-(2-ethoxyphenyl)-2-fluoroethanamine
CID 112562684
1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570816
N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 43274304
N-cyclohexyl-1-(2-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43180403

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 43570790) 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(CN)N(C)C(CC)CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is GLPRADLTTMGWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-13(6-2)18(4)15(12-17)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 43570790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).