4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline

C17H20FN — CID 43094286

IUPAC4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN/c1-3-4-14-5-7-15(8-6-14)13(2)19-17-11-9-16(18)10-12-17/h5-13,19H,3-4H2,1-2H3
InChIKeyZHVWTMNKWOSCMV-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.95
Rot. Bonds5

About 4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline

4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline (PubChem CID 43094286) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
PubChem CID43094286
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN/c1-3-4-14-5-7-15(8-6-14)13(2)19-17-11-9-16(18)10-12-17/h5-13,19H,3-4H2,1-2H3
InChIKeyZHVWTMNKWOSCMV-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[1-(4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236407
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
N-(1-phenylethyl)-4-propylaniline
CID 43078217
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline
CID 83059340
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
1-fluoro-4-propylbenzene
CID 2737505
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
N-[1-(4-propylphenyl)ethyl]-1H-indol-5-amine
CID 43103805
1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea
CID 17284516

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline (CID 43094286) is 4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline is CCCc1ccc(C(C)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline?
The InChIKey is ZHVWTMNKWOSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-4-14-5-7-15(8-6-14)13(2)19-17-11-9-16(18)10-12-17/h5-13,19H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline?
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline has a molecular weight of 257.35 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline is sourced from PubChem (CID 43094286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).