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

C16H18FN — CID 43114236

IUPAC2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C16H18FN/c1-11-4-7-14(8-5-11)13(3)18-16-9-6-12(2)10-15(16)17/h4-10,13,18H,1-3H3
InChIKeyQQEVNXSJJMAEMF-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.62
Rot. Bonds3

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

2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline (PubChem CID 43114236) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
PubChem CID43114236
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C16H18FN/c1-11-4-7-14(8-5-11)13(3)18-16-9-6-12(2)10-15(16)17/h4-10,13,18H,1-3H3
InChIKeyQQEVNXSJJMAEMF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-methyl-N-(1-phenylethyl)aniline
CID 43088352
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol
CID 43114127
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 103590140
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
CID 82964740
N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline
CID 43772756
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
CID 43757717
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline
CID 103591618

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline (CID 43114236) is 2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2ccc(C)cc2F)cc1.
What is the InChIKey of 2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The InChIKey is QQEVNXSJJMAEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-4-7-14(8-5-11)13(3)18-16-9-6-12(2)10-15(16)17/h4-10,13,18H,1-3H3.
What are the key properties of 2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline has a molecular weight of 243.32 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43114236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).