4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine

C15H27N3O — CID 22014734

IUPAC4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine
SMILESCCNc1cc(OCCCN(CC)CC)ccc1N
InChIInChI=1S/C15H27N3O/c1-4-17-15-12-13(8-9-14(15)16)19-11-7-10-18(5-2)6-3/h8-9,12,17H,4-7,10-11,16H2,1-3H3
InChIKeyWCHXZQGRSIVXMU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.81
Rot. Bonds9

About 4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine

4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine (PubChem CID 22014734) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine
PubChem CID22014734
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine
SMILESCCNc1cc(OCCCN(CC)CC)ccc1N
InChIInChI=1S/C15H27N3O/c1-4-17-15-12-13(8-9-14(15)16)19-11-7-10-18(5-2)6-3/h8-9,12,17H,4-7,10-11,16H2,1-3H3
InChIKeyWCHXZQGRSIVXMU-UHFFFAOYSA-N
XLogP2.81
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
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

1-N-butyl-4-[3-(diethylamino)propoxy]benzene-1,2-diamine
CID 69267318
4-chloro-2-N-[3-(diethylamino)propyl]benzene-1,2-diamine
CID 113315575
4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine
CID 21451827
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine
CID 67163167
4-[2-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]ethoxy]-2-N-ethylbenzene-1,2-diamine
CID 144774749
N-ethyl-2,5-dipropoxyaniline
CID 82267866
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
CID 57439221
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine?
The IUPAC name of 4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine (CID 22014734) is 4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine.
What is the SMILES notation for 4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine?
The canonical SMILES for 4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine is CCNc1cc(OCCCN(CC)CC)ccc1N.
What is the InChIKey of 4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine?
The InChIKey is WCHXZQGRSIVXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-17-15-12-13(8-9-14(15)16)19-11-7-10-18(5-2)6-3/h8-9,12,17H,4-7,10-11,16H2,1-3H3.
What are the key properties of 4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine?
4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine is sourced from PubChem (CID 22014734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).