N-(2-butoxyethyl)-4-fluoroaniline

C12H18FNO — CID 61482924

IUPACN-(2-butoxyethyl)-4-fluoroaniline
SMILESCCCCOCCNc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-2-3-9-15-10-8-14-12-6-4-11(13)5-7-12/h4-7,14H,2-3,8-10H2,1H3
InChIKeyNXWYXUJPRSREFS-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.05
Rot. Bonds7

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

N-(2-butoxyethyl)-4-fluoroaniline (PubChem CID 61482924) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-fluoroaniline
PubChem CID61482924
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-(2-butoxyethyl)-4-fluoroaniline
SMILESCCCCOCCNc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-2-3-9-15-10-8-14-12-6-4-11(13)5-7-12/h4-7,14H,2-3,8-10H2,1H3
InChIKeyNXWYXUJPRSREFS-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.05
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-fluoroaniline 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-fluoro-N-(2-heptoxyethyl)aniline
CID 63505615
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
4-methyl-N-(2-pentoxyethyl)aniline
CID 62584140
4-methyl-N-(2-octoxyethyl)aniline
CID 55196858
4-fluoro-N-heptylaniline
CID 43129312
2-bromo-N-(2-butoxyethyl)-4-fluoroaniline
CID 61483215
N-(2-butoxyethyl)-4-ethoxy-3-fluoroaniline
CID 113399744
N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
4-(2-propoxyethylamino)phenol
CID 162495053

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-fluoroaniline?
The IUPAC name of N-(2-butoxyethyl)-4-fluoroaniline (CID 61482924) is N-(2-butoxyethyl)-4-fluoroaniline.
What is the SMILES notation for N-(2-butoxyethyl)-4-fluoroaniline?
The canonical SMILES for N-(2-butoxyethyl)-4-fluoroaniline is CCCCOCCNc1ccc(F)cc1.
What is the InChIKey of N-(2-butoxyethyl)-4-fluoroaniline?
The InChIKey is NXWYXUJPRSREFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-2-3-9-15-10-8-14-12-6-4-11(13)5-7-12/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of N-(2-butoxyethyl)-4-fluoroaniline?
N-(2-butoxyethyl)-4-fluoroaniline has a molecular weight of 211.28 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-fluoroaniline is sourced from PubChem (CID 61482924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).