4-ethyl-N-(3-fluoropropyl)aniline

C11H16FN — CID 81106557

IUPAC4-ethyl-N-(3-fluoropropyl)aniline
SMILESCCc1ccc(NCCCF)cc1
InChIInChI=1S/C11H16FN/c1-2-10-4-6-11(7-5-10)13-9-3-8-12/h4-7,13H,2-3,8-9H2,1H3
InChIKeyXIMXPVXMBKTAKP-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.02
Rot. Bonds5

About 4-ethyl-N-(3-fluoropropyl)aniline

4-ethyl-N-(3-fluoropropyl)aniline (PubChem CID 81106557) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-ethyl-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-(3-fluoropropyl)aniline
PubChem CID81106557
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name4-ethyl-N-(3-fluoropropyl)aniline
SMILESCCc1ccc(NCCCF)cc1
InChIInChI=1S/C11H16FN/c1-2-10-4-6-11(7-5-10)13-9-3-8-12/h4-7,13H,2-3,8-9H2,1H3
InChIKeyXIMXPVXMBKTAKP-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-diethylaniline
CID 6429431
N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine
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4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline
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N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
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1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
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2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride
CID 88507578
N-tert-butyl-4-ethylaniline
CID 58745565
2-[2-(4-ethylanilino)ethylamino]phenol
CID 151020597
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007
4-(chloromethyl)-N-hexylaniline
CID 65025803
4-(2-chloroethyl)-N-pentylaniline
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-fluoropropyl)aniline?
The IUPAC name of 4-ethyl-N-(3-fluoropropyl)aniline (CID 81106557) is 4-ethyl-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 4-ethyl-N-(3-fluoropropyl)aniline?
The canonical SMILES for 4-ethyl-N-(3-fluoropropyl)aniline is CCc1ccc(NCCCF)cc1.
What is the InChIKey of 4-ethyl-N-(3-fluoropropyl)aniline?
The InChIKey is XIMXPVXMBKTAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-2-10-4-6-11(7-5-10)13-9-3-8-12/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of 4-ethyl-N-(3-fluoropropyl)aniline?
4-ethyl-N-(3-fluoropropyl)aniline has a molecular weight of 181.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 81106557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).