2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine

C12H20N2O — CID 62570682

IUPAC2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine
SMILESCOCCNC(C)CNc1ccccc1
InChIInChI=1S/C12H20N2O/c1-11(13-8-9-15-2)10-14-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3
InChIKeyXFDCKPOYTOQAAB-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.72
Rot. Bonds7

About 2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine

2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine (PubChem CID 62570682) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine
PubChem CID62570682
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine
SMILESCOCCNC(C)CNc1ccccc1
InChIInChI=1S/C12H20N2O/c1-11(13-8-9-15-2)10-14-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3
InChIKeyXFDCKPOYTOQAAB-UHFFFAOYSA-N
XLogP1.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethylsulfanyl)propyl]aniline
CID 62577596
benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate
CID 167763104
N-(4-methoxybutyl)aniline
CID 13042774
(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 93043964
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
N-(2-bromopropyl)aniline
CID 13183607
N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide
CID 97250489
2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 22075486
N-(2-propoxypropyl)aniline
CID 62585259
2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine
CID 62568312
N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
CID 54806182
N-(2-methoxyethyl)butan-2-amine
CID 43190188

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine (CID 62570682) is 2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine is COCCNC(C)CNc1ccccc1.
What is the InChIKey of 2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine?
The InChIKey is XFDCKPOYTOQAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(13-8-9-15-2)10-14-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3.
What are the key properties of 2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine?
2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 62570682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).