N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline

C16H17F2N — CID 43108323

IUPACN-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
SMILESCCc1ccc(C(C)Nc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H17F2N/c1-3-12-4-6-13(7-5-12)11(2)19-16-9-14(17)8-15(18)10-16/h4-11,19H,3H2,1-2H3
InChIKeyINWYTZLBAAOHAK-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.70
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline

N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline (PubChem CID 43108323) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
PubChem CID43108323
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
SMILESCCc1ccc(C(C)Nc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H17F2N/c1-3-12-4-6-13(7-5-12)11(2)19-16-9-14(17)8-15(18)10-16/h4-11,19H,3H2,1-2H3
InChIKeyINWYTZLBAAOHAK-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943
3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
CID 107364137
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
N-[4-[(1S)-1-(3,5-difluoroanilino)ethyl]phenyl]ethanesulfonamide
CID 97306800
N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
CID 43100376
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
CID 43106299
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
CID 43102207

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline (CID 43108323) is N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline is CCc1ccc(C(C)Nc2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline?
The InChIKey is INWYTZLBAAOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-12-4-6-13(7-5-12)11(2)19-16-9-14(17)8-15(18)10-16/h4-11,19H,3H2,1-2H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline?
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline has a molecular weight of 261.31 g/mol, XLogP of 4.70, 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]-3,5-difluoroaniline is sourced from PubChem (CID 43108323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).