N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline

C16H18FN — CID 43104035

IUPACN-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
SMILESCCc1ccc(C(C)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FN/c1-3-13-7-9-14(10-8-13)12(2)18-16-6-4-5-15(17)11-16/h4-12,18H,3H2,1-2H3
InChIKeyLHXQPCKVPAPRNO-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.56
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline

N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline (PubChem CID 43104035) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
PubChem CID43104035
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
SMILESCCc1ccc(C(C)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FN/c1-3-13-7-9-14(10-8-13)12(2)18-16-6-4-5-15(17)11-16/h4-12,18H,3H2,1-2H3
InChIKeyLHXQPCKVPAPRNO-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
CID 107364137
3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43094821
3-[1-(4-ethylphenyl)ethylamino]benzamide
CID 43202914
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline (CID 43104035) is N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline is CCc1ccc(C(C)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline?
The InChIKey is LHXQPCKVPAPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-13-7-9-14(10-8-13)12(2)18-16-6-4-5-15(17)11-16/h4-12,18H,3H2,1-2H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline?
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline has a molecular weight of 243.32 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 43104035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).