4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine

C16H29N3O — CID 102991287

IUPAC4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
SMILESCCN(CC)CCCN(CC)c1ccc(N)c(OC)c1
InChIInChI=1S/C16H29N3O/c1-5-18(6-2)11-8-12-19(7-3)14-9-10-15(17)16(13-14)20-4/h9-10,13H,5-8,11-12,17H2,1-4H3
InChIKeyQEXDXIPXZVWAKS-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.84
Rot. Bonds9

About 4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine

4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine (PubChem CID 102991287) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
PubChem CID102991287
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
SMILESCCN(CC)CCCN(CC)c1ccc(N)c(OC)c1
InChIInChI=1S/C16H29N3O/c1-5-18(6-2)11-8-12-19(7-3)14-9-10-15(17)16(13-14)20-4/h9-10,13H,5-8,11-12,17H2,1-4H3
InChIKeyQEXDXIPXZVWAKS-UHFFFAOYSA-N
XLogP2.84
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991178
2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63675678
4-[2-(diethylamino)ethyl]-2-methoxyaniline
CID 89182820
2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
CID 63670161
1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone
CID 102991273
2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
CID 102991223
ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
CID 142222447
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
4-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]-4-N-(4-amino-3-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 89352450
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 102991239
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
N'-[4-(2-aminoethyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102998280

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine (CID 102991287) is 4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine is CCN(CC)CCCN(CC)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine?
The InChIKey is QEXDXIPXZVWAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-18(6-2)11-8-12-19(7-3)14-9-10-15(17)16(13-14)20-4/h9-10,13H,5-8,11-12,17H2,1-4H3.
What are the key properties of 4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine?
4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 102991287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).