2-(2-aminoethyl)-N-butyl-4-fluoroaniline

C12H19FN2 — CID 95441121

IUPAC2-(2-aminoethyl)-N-butyl-4-fluoroaniline
SMILESCCCCNc1ccc(F)cc1CCN
InChIInChI=1S/C12H19FN2/c1-2-3-8-15-12-5-4-11(13)9-10(12)6-7-14/h4-5,9,15H,2-3,6-8,14H2,1H3
InChIKeyKKCXMHLDUPJEJP-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.54
Rot. Bonds6

About 2-(2-aminoethyl)-N-butyl-4-fluoroaniline

2-(2-aminoethyl)-N-butyl-4-fluoroaniline (PubChem CID 95441121) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-butyl-4-fluoroaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-butyl-4-fluoroaniline
PubChem CID95441121
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-(2-aminoethyl)-N-butyl-4-fluoroaniline
SMILESCCCCNc1ccc(F)cc1CCN
InChIInChI=1S/C12H19FN2/c1-2-3-8-15-12-5-4-11(13)9-10(12)6-7-14/h4-5,9,15H,2-3,6-8,14H2,1H3
InChIKeyKKCXMHLDUPJEJP-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 95441473
2,4-difluoro-N-nonylaniline
CID 43129325
N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline
CID 82300622
2,5-difluoro-N-hexylaniline
CID 28877091
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline
CID 82296258
N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline
CID 95475072
2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline
CID 82294339
2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
N,2-diethyl-4-fluoroaniline
CID 23348964

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-butyl-4-fluoroaniline?
The IUPAC name of 2-(2-aminoethyl)-N-butyl-4-fluoroaniline (CID 95441121) is 2-(2-aminoethyl)-N-butyl-4-fluoroaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-butyl-4-fluoroaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-butyl-4-fluoroaniline is CCCCNc1ccc(F)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-butyl-4-fluoroaniline?
The InChIKey is KKCXMHLDUPJEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-2-3-8-15-12-5-4-11(13)9-10(12)6-7-14/h4-5,9,15H,2-3,6-8,14H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-butyl-4-fluoroaniline?
2-(2-aminoethyl)-N-butyl-4-fluoroaniline has a molecular weight of 210.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-butyl-4-fluoroaniline is sourced from PubChem (CID 95441121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).