2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine

C12H20N2O — CID 20546345

IUPAC2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
SMILESCCOc1cccc(C(CN)CNC)c1
InChIInChI=1S/C12H20N2O/c1-3-15-12-6-4-5-10(7-12)11(8-13)9-14-2/h4-7,11,14H,3,8-9,13H2,1-2H3
InChIKeyPQCHLYZXDVDLOZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.35
Rot. Bonds6

About 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine

2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 20546345) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
PubChem CID20546345
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
SMILESCCOc1cccc(C(CN)CNC)c1
InChIInChI=1S/C12H20N2O/c1-3-15-12-6-4-5-10(7-12)11(8-13)9-14-2/h4-7,11,14H,3,8-9,13H2,1-2H3
InChIKeyPQCHLYZXDVDLOZ-UHFFFAOYSA-N
XLogP1.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 20546137
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
3-(3-ethoxyphenyl)pentanediamide
CID 20546636
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
CID 83973282
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(1S)-1-(3-ethoxyphenyl)prop-2-en-1-amine
CID 171225218
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine (CID 20546345) is 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine is CCOc1cccc(C(CN)CNC)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is PQCHLYZXDVDLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-15-12-6-4-5-10(7-12)11(8-13)9-14-2/h4-7,11,14H,3,8-9,13H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine?
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 20546345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).