2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline

C12H18FN — CID 163258741

IUPAC2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline
SMILESCCc1cccc(F)c1N(C)C(C)C
InChIInChI=1S/C12H18FN/c1-5-10-7-6-8-11(13)12(10)14(4)9(2)3/h6-9H,5H2,1-4H3
InChIKeyGIXQWPMLKGJOGQ-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.23
Rot. Bonds3

About 2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline

2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline (PubChem CID 163258741) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline
PubChem CID163258741
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline
SMILESCCc1cccc(F)c1N(C)C(C)C
InChIInChI=1S/C12H18FN/c1-5-10-7-6-8-11(13)12(10)14(4)9(2)3/h6-9H,5H2,1-4H3
InChIKeyGIXQWPMLKGJOGQ-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 82505630
2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 114070065
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
2-[butan-2-yl(methyl)amino]-3-fluorobenzoic acid
CID 62649994
azane;1-ethyl-2-fluorobenzene
CID 66657049
2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 114070080
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
2-(bromomethyl)-N-tert-butyl-6-fluoro-N-methylaniline
CID 130756582
N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine
CID 112514390
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide
CID 95262158

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline?
The IUPAC name of 2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline (CID 163258741) is 2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline?
The canonical SMILES for 2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline is CCc1cccc(F)c1N(C)C(C)C.
What is the InChIKey of 2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline?
The InChIKey is GIXQWPMLKGJOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-5-10-7-6-8-11(13)12(10)14(4)9(2)3/h6-9H,5H2,1-4H3.
What are the key properties of 2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline?
2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline has a molecular weight of 195.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 163258741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).