N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline

C16H18FN — CID 43078754

IUPACN-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C16H18FN/c1-11-4-9-16(12(2)10-11)18-13(3)14-5-7-15(17)8-6-14/h4-10,13,18H,1-3H3
InChIKeyXGACPWUJRPVRIM-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.62
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline

N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline (PubChem CID 43078754) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
PubChem CID43078754
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C16H18FN/c1-11-4-9-16(12(2)10-11)18-13(3)14-5-7-15(17)8-6-14/h4-10,13,18H,1-3H3
InChIKeyXGACPWUJRPVRIM-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-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline
CID 43225074
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
2-fluoro-4-methyl-N-(1-phenylethyl)aniline
CID 43088352
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline (CID 43078754) is N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline is Cc1ccc(NC(C)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline?
The InChIKey is XGACPWUJRPVRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-4-9-16(12(2)10-11)18-13(3)14-5-7-15(17)8-6-14/h4-10,13,18H,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline?
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline 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 N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline is sourced from PubChem (CID 43078754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).