2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine

C15H26N2O2 — CID 103410200

IUPAC2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CCCOCCOC)c1ccccc1N
InChIInChI=1S/C15H26N2O2/c1-3-9-17(10-6-11-19-13-12-18-2)15-8-5-4-7-14(15)16/h4-5,7-8H,3,6,9-13,16H2,1-2H3
InChIKeyYBOVPKJEAHVXDI-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.54
Rot. Bonds10

About 2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine

2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine (PubChem CID 103410200) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine
PubChem CID103410200
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CCCOCCOC)c1ccccc1N
InChIInChI=1S/C15H26N2O2/c1-3-9-17(10-6-11-19-13-12-18-2)15-8-5-4-7-14(15)16/h4-5,7-8H,3,6,9-13,16H2,1-2H3
InChIKeyYBOVPKJEAHVXDI-UHFFFAOYSA-N
XLogP2.54
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
CID 81106111
2-N-[2-(3-methylbutoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 55174201
2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 106453609
2-N-[2-(4-bromophenoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 63230197
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
2-N-ethyl-2-N-(3-phenoxypropyl)benzene-1,2-diamine
CID 62936282
1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine
CID 145096350
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751
3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine
CID 103410198
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 61453395
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine (CID 103410200) is 2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine is CCCN(CCCOCCOC)c1ccccc1N.
What is the InChIKey of 2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine?
The InChIKey is YBOVPKJEAHVXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-9-17(10-6-11-19-13-12-18-2)15-8-5-4-7-14(15)16/h4-5,7-8H,3,6,9-13,16H2,1-2H3.
What are the key properties of 2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine?
2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 103410200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).