4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine

C16H28N2O2 — CID 103178991

IUPAC4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCOCCCOC)cc1
InChIInChI=1S/C16H28N2O2/c1-4-18(5-2)16-9-7-15(8-10-16)17-11-14-20-13-6-12-19-3/h7-10,17H,4-6,11-14H2,1-3H3
InChIKeyQGCOMZQQZCTXCJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.00
Rot. Bonds11

About 4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine

4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine (PubChem CID 103178991) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine
PubChem CID103178991
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCOCCCOC)cc1
InChIInChI=1S/C16H28N2O2/c1-4-18(5-2)16-9-7-15(8-10-16)17-11-14-20-13-6-12-19-3/h7-10,17H,4-6,11-14H2,1-3H3
InChIKeyQGCOMZQQZCTXCJ-UHFFFAOYSA-N
XLogP3.00
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.00
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'}

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Related Compounds

N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline
CID 103178499
3,4-difluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178421
1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103409400
1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 103179316
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 62555031
1-N-[2-(4-tert-butylphenoxy)ethyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796289
4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
CID 43680115
4-N,4-N-diethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 115513702
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561328
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine (CID 103178991) is 4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine is CCN(CC)c1ccc(NCCOCCCOC)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine?
The InChIKey is QGCOMZQQZCTXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-18(5-2)16-9-7-15(8-10-16)17-11-14-20-13-6-12-19-3/h7-10,17H,4-6,11-14H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine has a molecular weight of 280.41 g/mol, XLogP of 3.00, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 103178991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).