2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride

C16H19ClFN — CID 50988118

IUPAC2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride
SMILESCc1ccc(C(C)Nc2cc(C)ccc2F)cc1.Cl
InChIInChI=1S/C16H18FN.ClH/c1-11-4-7-14(8-5-11)13(3)18-16-10-12(2)6-9-15(16)17;/h4-10,13,18H,1-3H3;1H
InChIKeyDTMDXFYXCGZFBR-UHFFFAOYSA-N
MW279.79 g/mol
LogP5.04
Rot. Bonds3

About 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride

2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride (PubChem CID 50988118) has the molecular formula C16H19ClFN and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride
PubChem CID50988118
Molecular FormulaC16H19ClFN
Molecular Weight279.79 g/mol
Exact Mass279.12
IUPAC Name2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride
SMILESCc1ccc(C(C)Nc2cc(C)ccc2F)cc1.Cl
InChIInChI=1S/C16H18FN.ClH/c1-11-4-7-14(8-5-11)13(3)18-16-10-12(2)6-9-15(16)17;/h4-10,13,18H,1-3H3;1H
InChIKeyDTMDXFYXCGZFBR-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.79
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride?
The IUPAC name of 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride (CID 50988118) is 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride.
What is the SMILES notation for 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride?
The canonical SMILES for 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride is Cc1ccc(C(C)Nc2cc(C)ccc2F)cc1.Cl.
What is the InChIKey of 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride?
The InChIKey is DTMDXFYXCGZFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN.ClH/c1-11-4-7-14(8-5-11)13(3)18-16-10-12(2)6-9-15(16)17;/h4-10,13,18H,1-3H3;1H.
What are the key properties of 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride?
2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride has a molecular weight of 279.79 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride is sourced from PubChem (CID 50988118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).