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

C14H25N3O — CID 102991178

IUPAC4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
SMILESCCN(CCCN(C)C)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H25N3O/c1-5-17(10-6-9-16(2)3)12-7-8-13(15)14(11-12)18-4/h7-8,11H,5-6,9-10,15H2,1-4H3
InChIKeyHQPKBLZAFUMYLC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.06
Rot. Bonds7

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

4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine (PubChem CID 102991178) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
PubChem CID102991178
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
SMILESCCN(CCCN(C)C)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H25N3O/c1-5-17(10-6-9-16(2)3)12-7-8-13(15)14(11-12)18-4/h7-8,11H,5-6,9-10,15H2,1-4H3
InChIKeyHQPKBLZAFUMYLC-UHFFFAOYSA-N
XLogP2.06
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.06
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-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991287
2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63675678
2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
CID 63670161
4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
CID 170865901
2-amino-4-[3-(dimethylamino)propyl-ethylamino]benzoic acid
CID 102995966
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
4-chloro-2-N-[3-(dimethylamino)propyl]-2-N-ethylbenzene-1,2-diamine
CID 102991096
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
N'-[4-[(1S)-1-aminoethyl]phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994146
ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
CID 142222447
4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine
CID 63695941

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine (CID 102991178) is 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine is CCN(CCCN(C)C)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine?
The InChIKey is HQPKBLZAFUMYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-17(10-6-9-16(2)3)12-7-8-13(15)14(11-12)18-4/h7-8,11H,5-6,9-10,15H2,1-4H3.
What are the key properties of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine?
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine has a molecular weight of 251.37 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 102991178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).