3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine

C15H24N2O — CID 114099220

IUPAC3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine
SMILESCCCC1(CNc2cccc(OCC)c2N)CC1
InChIInChI=1S/C15H24N2O/c1-3-8-15(9-10-15)11-17-12-6-5-7-13(14(12)16)18-4-2/h5-7,17H,3-4,8-11,16H2,1-2H3
InChIKeyXYXPBGJQRSZTRG-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.66
Rot. Bonds7

About 3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine

3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine (PubChem CID 114099220) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine
PubChem CID114099220
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine
SMILESCCCC1(CNc2cccc(OCC)c2N)CC1
InChIInChI=1S/C15H24N2O/c1-3-8-15(9-10-15)11-17-12-6-5-7-13(14(12)16)18-4-2/h5-7,17H,3-4,8-11,16H2,1-2H3
InChIKeyXYXPBGJQRSZTRG-UHFFFAOYSA-N
XLogP3.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-N-(2-methyl-2-methylsulfanylpropyl)benzene-1,2-diamine
CID 113478575
4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol
CID 106120202
3-ethoxy-1-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 114127048
methyl 3-(2-amino-3-ethoxyanilino)propanoate
CID 113392554
2-(2-amino-3-ethoxyanilino)ethylurea
CID 113392780
3-ethoxy-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 113392589
3-ethoxy-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 113392707
1-[(2-ethoxyanilino)methyl]cyclobutan-1-ol
CID 131701664
3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine
CID 114698392
1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine
CID 106759471
3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
CID 106104073
3-amino-4-[(1-propylcyclopropyl)methylamino]benzonitrile
CID 114099212

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine (CID 114099220) is 3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine is CCCC1(CNc2cccc(OCC)c2N)CC1.
What is the InChIKey of 3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine?
The InChIKey is XYXPBGJQRSZTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-8-15(9-10-15)11-17-12-6-5-7-13(14(12)16)18-4-2/h5-7,17H,3-4,8-11,16H2,1-2H3.
What are the key properties of 3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine?
3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 114099220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).