2-[3-[methyl(pentyl)amino]propoxy]aniline

C15H26N2O — CID 43294418

IUPAC2-[3-[methyl(pentyl)amino]propoxy]aniline
SMILESCCCCCN(C)CCCOc1ccccc1N
InChIInChI=1S/C15H26N2O/c1-3-4-7-11-17(2)12-8-13-18-15-10-6-5-9-14(15)16/h5-6,9-10H,3-4,7-8,11-13,16H2,1-2H3
InChIKeyQNCUPKRGHJXORY-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.16
Rot. Bonds9

About 2-[3-[methyl(pentyl)amino]propoxy]aniline

2-[3-[methyl(pentyl)amino]propoxy]aniline (PubChem CID 43294418) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[3-[methyl(pentyl)amino]propoxy]aniline.

Molecular Properties

Compound Name2-[3-[methyl(pentyl)amino]propoxy]aniline
PubChem CID43294418
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[3-[methyl(pentyl)amino]propoxy]aniline
SMILESCCCCCN(C)CCCOc1ccccc1N
InChIInChI=1S/C15H26N2O/c1-3-4-7-11-17(2)12-8-13-18-15-10-6-5-9-14(15)16/h5-6,9-10H,3-4,7-8,11-13,16H2,1-2H3
InChIKeyQNCUPKRGHJXORY-UHFFFAOYSA-N
XLogP3.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-octoxyaniline
CID 14747235
2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
CID 61425855
2-[3-[methyl(3-methylsulfanylpropyl)amino]propoxy]aniline
CID 114236527
2-[3-[methoxy(methyl)amino]propoxy]aniline
CID 43627567
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
4-methylaniline;2-tetradecoxyaniline
CID 158200068
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
2-(3-butylsulfonylpropoxy)aniline
CID 43615873
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
bis[3-[methyl(tridecyl)amino]propyl] benzene-1,2-dicarboxylate
CID 139952628
bis[3-[methyl(undecyl)amino]propyl] benzene-1,2-dicarboxylate
CID 139953596

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(pentyl)amino]propoxy]aniline?
The IUPAC name of 2-[3-[methyl(pentyl)amino]propoxy]aniline (CID 43294418) is 2-[3-[methyl(pentyl)amino]propoxy]aniline.
What is the SMILES notation for 2-[3-[methyl(pentyl)amino]propoxy]aniline?
The canonical SMILES for 2-[3-[methyl(pentyl)amino]propoxy]aniline is CCCCCN(C)CCCOc1ccccc1N.
What is the InChIKey of 2-[3-[methyl(pentyl)amino]propoxy]aniline?
The InChIKey is QNCUPKRGHJXORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-4-7-11-17(2)12-8-13-18-15-10-6-5-9-14(15)16/h5-6,9-10H,3-4,7-8,11-13,16H2,1-2H3.
What are the key properties of 2-[3-[methyl(pentyl)amino]propoxy]aniline?
2-[3-[methyl(pentyl)amino]propoxy]aniline has a molecular weight of 250.39 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(pentyl)amino]propoxy]aniline is sourced from PubChem (CID 43294418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).