4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine

C15H26N2O2 — CID 63695941

IUPAC4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(N(CC)CCOCC)ccc1N
InChIInChI=1S/C15H26N2O2/c1-4-10-19-15-12-13(7-8-14(15)16)17(5-2)9-11-18-6-3/h7-8,12H,4-6,9-11,16H2,1-3H3
InChIKeyWSPSVRVMOBEFAS-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.92
Rot. Bonds9

About 4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine

4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine (PubChem CID 63695941) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine
PubChem CID63695941
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(N(CC)CCOCC)ccc1N
InChIInChI=1S/C15H26N2O2/c1-4-10-19-15-12-13(7-8-14(15)16)17(5-2)9-11-18-6-3/h7-8,12H,4-6,9-11,16H2,1-3H3
InChIKeyWSPSVRVMOBEFAS-UHFFFAOYSA-N
XLogP2.92
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide
CID 63670160
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
2-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63697340
4-methyl-2-propoxyaniline
CID 24698653
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991178
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657152
2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
CID 63670487
4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991287
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine (CID 63695941) is 4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine is CCCOc1cc(N(CC)CCOCC)ccc1N.
What is the InChIKey of 4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine?
The InChIKey is WSPSVRVMOBEFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-10-19-15-12-13(7-8-14(15)16)17(5-2)9-11-18-6-3/h7-8,12H,4-6,9-11,16H2,1-3H3.
What are the key properties of 4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine?
4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 63695941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).