4-fluoro-N-pentan-2-ylaniline

C11H16FN — CID 15724808

IUPAC4-fluoro-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-3-4-9(2)13-11-7-5-10(12)6-8-11/h5-9,13H,3-4H2,1-2H3
InChIKeyCRZFLRYHKKTVEF-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.43
Rot. Bonds4

About 4-fluoro-N-pentan-2-ylaniline

4-fluoro-N-pentan-2-ylaniline (PubChem CID 15724808) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-fluoro-N-pentan-2-ylaniline.

Molecular Properties

Compound Name4-fluoro-N-pentan-2-ylaniline
PubChem CID15724808
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name4-fluoro-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-3-4-9(2)13-11-7-5-10(12)6-8-11/h5-9,13H,3-4H2,1-2H3
InChIKeyCRZFLRYHKKTVEF-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline
CID 115916758
4-(aminomethyl)-N-pentan-2-ylaniline
CID 107886094
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
6-methyl-N-[(2R)-pentan-2-yl]pyridin-3-amine
CID 97357985
2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126
N-pentan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 82810705
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
4-(pentan-2-ylamino)benzamide
CID 43193030
2-fluoro-5-(pentan-2-ylamino)benzonitrile
CID 62317133

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pentan-2-ylaniline?
The IUPAC name of 4-fluoro-N-pentan-2-ylaniline (CID 15724808) is 4-fluoro-N-pentan-2-ylaniline.
What is the SMILES notation for 4-fluoro-N-pentan-2-ylaniline?
The canonical SMILES for 4-fluoro-N-pentan-2-ylaniline is CCCC(C)Nc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-pentan-2-ylaniline?
The InChIKey is CRZFLRYHKKTVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-4-9(2)13-11-7-5-10(12)6-8-11/h5-9,13H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-N-pentan-2-ylaniline?
4-fluoro-N-pentan-2-ylaniline has a molecular weight of 181.25 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pentan-2-ylaniline is sourced from PubChem (CID 15724808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).