4-[4-(dimethylamino)butoxy]aniline

C12H20N2O — CID 11458449

IUPAC4-[4-(dimethylamino)butoxy]aniline
SMILESCN(C)CCCCOc1ccc(N)cc1
InChIInChI=1S/C12H20N2O/c1-14(2)9-3-4-10-15-12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyTYJBBYDGCJAAAX-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.99
Rot. Bonds6

About 4-[4-(dimethylamino)butoxy]aniline

4-[4-(dimethylamino)butoxy]aniline (PubChem CID 11458449) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[4-(dimethylamino)butoxy]aniline.

Molecular Properties

Compound Name4-[4-(dimethylamino)butoxy]aniline
PubChem CID11458449
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-[4-(dimethylamino)butoxy]aniline
SMILESCN(C)CCCCOc1ccc(N)cc1
InChIInChI=1S/C12H20N2O/c1-14(2)9-3-4-10-15-12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyTYJBBYDGCJAAAX-UHFFFAOYSA-N
XLogP1.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[4-(dimethylamino)butoxy]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

4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
CID 101082704
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
CID 2182203
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)butoxy]aniline?
The IUPAC name of 4-[4-(dimethylamino)butoxy]aniline (CID 11458449) is 4-[4-(dimethylamino)butoxy]aniline.
What is the SMILES notation for 4-[4-(dimethylamino)butoxy]aniline?
The canonical SMILES for 4-[4-(dimethylamino)butoxy]aniline is CN(C)CCCCOc1ccc(N)cc1.
What is the InChIKey of 4-[4-(dimethylamino)butoxy]aniline?
The InChIKey is TYJBBYDGCJAAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(2)9-3-4-10-15-12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3.
What are the key properties of 4-[4-(dimethylamino)butoxy]aniline?
4-[4-(dimethylamino)butoxy]aniline has a molecular weight of 208.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)butoxy]aniline is sourced from PubChem (CID 11458449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).