2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine

C15H26N2O — CID 114137996

IUPAC2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine
SMILESCCCCC(CCC)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C15H26N2O/c1-4-6-8-12(7-5-2)17-13-9-10-14(16)15(11-13)18-3/h9-12,17H,4-8,16H2,1-3H3
InChIKeyMAAWQRHTOQWMEB-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.05
Rot. Bonds8

About 2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine

2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine (PubChem CID 114137996) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine
PubChem CID114137996
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine
SMILESCCCCC(CCC)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C15H26N2O/c1-4-6-8-12(7-5-2)17-13-9-10-14(16)15(11-13)18-3/h9-12,17H,4-8,16H2,1-3H3
InChIKeyMAAWQRHTOQWMEB-UHFFFAOYSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-N-octan-4-ylbenzene-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-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 106022537
4-N-octan-4-yl-2-propoxybenzene-1,4-diamine
CID 106022654
2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine
CID 23316326
4-bromo-N-heptan-4-yl-3-methoxyaniline
CID 82858432
4-fluoro-N-heptan-3-yl-3-methoxyaniline
CID 114838067
2-amino-4-(octan-4-ylamino)benzonitrile
CID 106022405
4-N-hexan-2-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002251
3-fluoro-4-methoxy-N-undecan-6-ylaniline
CID 43775903
3-fluoro-N-heptan-3-yl-4-methoxyaniline
CID 63944319
4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine
CID 63677066
4,5-dimethyl-2-N-octan-4-ylbenzene-1,2-diamine
CID 114281304
4-methyl-N-octan-4-ylaniline
CID 12779858

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine (CID 114137996) is 2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine is CCCCC(CCC)Nc1ccc(N)c(OC)c1.
What is the InChIKey of 2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine?
The InChIKey is MAAWQRHTOQWMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-8-12(7-5-2)17-13-9-10-14(16)15(11-13)18-3/h9-12,17H,4-8,16H2,1-3H3.
What are the key properties of 2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine?
2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 114137996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).