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

C15H26N2O2 — CID 103180403

IUPAC4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine
SMILESCCCN(CCOCCCOC)c1ccc(N)cc1
InChIInChI=1S/C15H26N2O2/c1-3-9-17(10-13-19-12-4-11-18-2)15-7-5-14(16)6-8-15/h5-8H,3-4,9-13,16H2,1-2H3
InChIKeySTIAUMOIBFTFDR-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.54
Rot. Bonds10

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

4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine (PubChem CID 103180403) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine
PubChem CID103180403
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine
SMILESCCCN(CCOCCCOC)c1ccc(N)cc1
InChIInChI=1S/C15H26N2O2/c1-3-9-17(10-13-19-12-4-11-18-2)15-7-5-14(16)6-8-15/h5-8H,3-4,9-13,16H2,1-2H3
InChIKeySTIAUMOIBFTFDR-UHFFFAOYSA-N
XLogP2.54
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.54
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
4-N-[3-[3-(4-amino-N-propylanilino)propyl-butylamino]propyl]-4-N-propylbenzene-1,4-diamine
CID 58794851
4-N-(2-dodecoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 89150752
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
CID 55173821
5-N-(2-methoxyethyl)-5-N-propylpyridine-2,5-diamine
CID 156651791
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile
CID 103179680
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
CID 43457117

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine (CID 103180403) is 4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine is CCCN(CCOCCCOC)c1ccc(N)cc1.
What is the InChIKey of 4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine?
The InChIKey is STIAUMOIBFTFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-9-17(10-13-19-12-4-11-18-2)15-7-5-14(16)6-8-15/h5-8H,3-4,9-13,16H2,1-2H3.
What are the key properties of 4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine?
4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 103180403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).