2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine

C12H20N2O2 — CID 103388752

IUPAC2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine
SMILESCOCCOc1ccc(NC(C)CN)cc1
InChIInChI=1S/C12H20N2O2/c1-10(9-13)14-11-3-5-12(6-4-11)16-8-7-15-2/h3-6,10,14H,7-9,13H2,1-2H3
InChIKeyOJCCURBWGPZMSH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.47
Rot. Bonds7

About 2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine

2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine (PubChem CID 103388752) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine
PubChem CID103388752
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine
SMILESCOCCOc1ccc(NC(C)CN)cc1
InChIInChI=1S/C12H20N2O2/c1-10(9-13)14-11-3-5-12(6-4-11)16-8-7-15-2/h3-6,10,14H,7-9,13H2,1-2H3
InChIKeyOJCCURBWGPZMSH-UHFFFAOYSA-N
XLogP1.47
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-pentan-2-ylaniline
CID 43734198
4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43734097
N-(1,1-difluoropropan-2-yl)-4-(2-methoxyethoxy)aniline
CID 102868863
4-(2-aminoethoxy)-N-pentan-2-ylaniline
CID 107886099
N-(5-methylhexan-2-yl)-4-[4-[4-(5-methylhexan-2-ylamino)phenoxy]butoxy]aniline
CID 70605379
N-butan-2-yl-4-propoxyaniline
CID 21311789
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
2-N-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 103387154
2-N-(4-chlorophenyl)propane-1,2-diamine
CID 55267436
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
3-N-(4-ethoxyphenyl)butane-1,3-diamine
CID 117027044
N-hexan-2-yl-4-[3-[4-(hexan-2-ylamino)phenoxy]propoxy]aniline
CID 54014240

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine?
The IUPAC name of 2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine (CID 103388752) is 2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine is COCCOc1ccc(NC(C)CN)cc1.
What is the InChIKey of 2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine?
The InChIKey is OJCCURBWGPZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(9-13)14-11-3-5-12(6-4-11)16-8-7-15-2/h3-6,10,14H,7-9,13H2,1-2H3.
What are the key properties of 2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine?
2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine is sourced from PubChem (CID 103388752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).