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

C15H26N2O — CID 61425855

IUPAC2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
SMILESCC(C)CCN(C)CCCOc1ccccc1N
InChIInChI=1S/C15H26N2O/c1-13(2)9-11-17(3)10-6-12-18-15-8-5-4-7-14(15)16/h4-5,7-8,13H,6,9-12,16H2,1-3H3
InChIKeyLKELVMVCZQIQRJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.02
Rot. Bonds8

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

2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline (PubChem CID 61425855) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline.

Molecular Properties

Compound Name2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
PubChem CID61425855
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
SMILESCC(C)CCN(C)CCCOc1ccccc1N
InChIInChI=1S/C15H26N2O/c1-13(2)9-11-17(3)10-6-12-18-15-8-5-4-7-14(15)16/h4-5,7-8,13H,6,9-12,16H2,1-3H3
InChIKeyLKELVMVCZQIQRJ-UHFFFAOYSA-N
XLogP3.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.02
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'}

Analyze 2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline 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

2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
CID 107869353
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
2-[3-[methyl(3-methylsulfanylpropyl)amino]propoxy]aniline
CID 114236527
3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
CID 61109535
2-[3-[methoxy(methyl)amino]propoxy]aniline
CID 43627567
2-[3-(2-aminophenoxy)propyl-propan-2-ylamino]ethanol
CID 54996120
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
CID 62463446
2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574806
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903
4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
CID 114948386

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline?
The IUPAC name of 2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline (CID 61425855) is 2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline.
What is the SMILES notation for 2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline?
The canonical SMILES for 2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline is CC(C)CCN(C)CCCOc1ccccc1N.
What is the InChIKey of 2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline?
The InChIKey is LKELVMVCZQIQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)9-11-17(3)10-6-12-18-15-8-5-4-7-14(15)16/h4-5,7-8,13H,6,9-12,16H2,1-3H3.
What are the key properties of 2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline?
2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline has a molecular weight of 250.39 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline is sourced from PubChem (CID 61425855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).