N-(2-butoxyethyl)-4-butylaniline

C16H27NO — CID 63489745

IUPACN-(2-butoxyethyl)-4-butylaniline
SMILESCCCCOCCNc1ccc(CCCC)cc1
InChIInChI=1S/C16H27NO/c1-3-5-7-15-8-10-16(11-9-15)17-12-14-18-13-6-4-2/h8-11,17H,3-7,12-14H2,1-2H3
InChIKeyUSBFKUMAWMLNLD-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.26
Rot. Bonds10

About N-(2-butoxyethyl)-4-butylaniline

N-(2-butoxyethyl)-4-butylaniline (PubChem CID 63489745) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-butylaniline.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-butylaniline
PubChem CID63489745
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(2-butoxyethyl)-4-butylaniline
SMILESCCCCOCCNc1ccc(CCCC)cc1
InChIInChI=1S/C16H27NO/c1-3-5-7-15-8-10-16(11-9-15)17-12-14-18-13-6-4-2/h8-11,17H,3-7,12-14H2,1-2H3
InChIKeyUSBFKUMAWMLNLD-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-butoxyethyl)-4-butylaniline 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

N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
4-bromo-N-[2-(4-butylphenoxy)ethyl]aniline
CID 115493403
4-methyl-N-(2-pentoxyethyl)aniline
CID 62584140
4-methyl-N-(2-octoxyethyl)aniline
CID 55196858
4-fluoro-N-(2-heptoxyethyl)aniline
CID 63505615
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491042
4-butyl-N-(3-methoxy-3-methylbutyl)aniline
CID 103033140
4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline
CID 65024049
5-(4-butylanilino)pentan-1-ol
CID 62228069
N-(2-butoxyethyl)-3-ethylaniline
CID 61483073
N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-butylaniline?
The IUPAC name of N-(2-butoxyethyl)-4-butylaniline (CID 63489745) is N-(2-butoxyethyl)-4-butylaniline.
What is the SMILES notation for N-(2-butoxyethyl)-4-butylaniline?
The canonical SMILES for N-(2-butoxyethyl)-4-butylaniline is CCCCOCCNc1ccc(CCCC)cc1.
What is the InChIKey of N-(2-butoxyethyl)-4-butylaniline?
The InChIKey is USBFKUMAWMLNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-5-7-15-8-10-16(11-9-15)17-12-14-18-13-6-4-2/h8-11,17H,3-7,12-14H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-4-butylaniline?
N-(2-butoxyethyl)-4-butylaniline has a molecular weight of 249.40 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-butylaniline is sourced from PubChem (CID 63489745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).