N-butyl-3,4-dipropoxyaniline

C16H27NO2 — CID 83961551

IUPACN-butyl-3,4-dipropoxyaniline
SMILESCCCCNc1ccc(OCCC)c(OCCC)c1
InChIInChI=1S/C16H27NO2/c1-4-7-10-17-14-8-9-15(18-11-5-2)16(13-14)19-12-6-3/h8-9,13,17H,4-7,10-12H2,1-3H3
InChIKeyGBDKGYRZDLEZMN-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.48
Rot. Bonds10

About N-butyl-3,4-dipropoxyaniline

N-butyl-3,4-dipropoxyaniline (PubChem CID 83961551) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-butyl-3,4-dipropoxyaniline.

Molecular Properties

Compound NameN-butyl-3,4-dipropoxyaniline
PubChem CID83961551
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-butyl-3,4-dipropoxyaniline
SMILESCCCCNc1ccc(OCCC)c(OCCC)c1
InChIInChI=1S/C16H27NO2/c1-4-7-10-17-14-8-9-15(18-11-5-2)16(13-14)19-12-6-3/h8-9,13,17H,4-7,10-12H2,1-3H3
InChIKeyGBDKGYRZDLEZMN-UHFFFAOYSA-N
XLogP4.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-3,4-dipropoxyaniline 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-(3,4-dipropoxyanilino)ethanethiol
CID 83961561
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
4-nitro-N-pentyl-3-propoxyaniline
CID 63669901
N'-(3,4-diethoxyphenyl)propane-1,3-diamine
CID 62505868
N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline
CID 83961565
N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline
CID 83961553
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
4-butoxy-N-butylaniline
CID 15112153
N-butyl-3-(chloromethyl)-4-ethoxyaniline
CID 65024868
N-[3-(4-amino-3-propoxyanilino)propyl]methanesulfonamide
CID 106333876
N-butyl-2-(3,4-diethoxyanilino)acetamide
CID 60672654
N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 14998841

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4-dipropoxyaniline?
The IUPAC name of N-butyl-3,4-dipropoxyaniline (CID 83961551) is N-butyl-3,4-dipropoxyaniline.
What is the SMILES notation for N-butyl-3,4-dipropoxyaniline?
The canonical SMILES for N-butyl-3,4-dipropoxyaniline is CCCCNc1ccc(OCCC)c(OCCC)c1.
What is the InChIKey of N-butyl-3,4-dipropoxyaniline?
The InChIKey is GBDKGYRZDLEZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-7-10-17-14-8-9-15(18-11-5-2)16(13-14)19-12-6-3/h8-9,13,17H,4-7,10-12H2,1-3H3.
What are the key properties of N-butyl-3,4-dipropoxyaniline?
N-butyl-3,4-dipropoxyaniline has a molecular weight of 265.40 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4-dipropoxyaniline is sourced from PubChem (CID 83961551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).