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

C18H22FN — CID 79054688

IUPACN-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
SMILESCCc1ccc(C(CC)Nc2cc(C)cc(F)c2)cc1
InChIInChI=1S/C18H22FN/c1-4-14-6-8-15(9-7-14)18(5-2)20-17-11-13(3)10-16(19)12-17/h6-12,18,20H,4-5H2,1-3H3
InChIKeyYXUMRCWGTMXGBU-UHFFFAOYSA-N
MW271.38 g/mol
LogP5.26
Rot. Bonds5

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

N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline (PubChem CID 79054688) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
PubChem CID79054688
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
SMILESCCc1ccc(C(CC)Nc2cc(C)cc(F)c2)cc1
InChIInChI=1S/C18H22FN/c1-4-14-6-8-15(9-7-14)18(5-2)20-17-11-13(3)10-16(19)12-17/h6-12,18,20H,4-5H2,1-3H3
InChIKeyYXUMRCWGTMXGBU-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.38
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline?
The IUPAC name of N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline (CID 79054688) is N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline.
What is the SMILES notation for N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline?
The canonical SMILES for N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline is CCc1ccc(C(CC)Nc2cc(C)cc(F)c2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline?
The InChIKey is YXUMRCWGTMXGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-14-6-8-15(9-7-14)18(5-2)20-17-11-13(3)10-16(19)12-17/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline?
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline has a molecular weight of 271.38 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline is sourced from PubChem (CID 79054688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).