N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline

C17H20FN — CID 79054943

IUPACN-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
SMILESCCc1ccc(C(C)Nc2cc(C)cc(F)c2)cc1
InChIInChI=1S/C17H20FN/c1-4-14-5-7-15(8-6-14)13(3)19-17-10-12(2)9-16(18)11-17/h5-11,13,19H,4H2,1-3H3
InChIKeyVWPMSGXVFLXLPW-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.87
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline

N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline (PubChem CID 79054943) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
PubChem CID79054943
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
SMILESCCc1ccc(C(C)Nc2cc(C)cc(F)c2)cc1
InChIInChI=1S/C17H20FN/c1-4-14-5-7-15(8-6-14)13(3)19-17-10-12(2)9-16(18)11-17/h5-11,13,19H,4H2,1-3H3
InChIKeyVWPMSGXVFLXLPW-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.87
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-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
CID 107364137
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
4-[1-(3-fluoro-5-methylanilino)ethyl]phenol
CID 79054695
2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044647
3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43100358
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
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-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline (CID 79054943) is N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline is CCc1ccc(C(C)Nc2cc(C)cc(F)c2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline?
The InChIKey is VWPMSGXVFLXLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-14-5-7-15(8-6-14)13(3)19-17-10-12(2)9-16(18)11-17/h5-11,13,19H,4H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline?
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline has a molecular weight of 257.35 g/mol, XLogP of 4.87, 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-fluoro-5-methylaniline is sourced from PubChem (CID 79054943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).