2-fluoro-N,N,5-trimethylaniline

C9H12FN — CID 118521335

IUPAC2-fluoro-N,N,5-trimethylaniline
SMILESCc1ccc(F)c(N(C)C)c1
InChIInChI=1S/C9H12FN/c1-7-4-5-8(10)9(6-7)11(2)3/h4-6H,1-3H3
InChIKeyIOMQOLCJZRCQMG-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.20
Rot. Bonds1

About 2-fluoro-N,N,5-trimethylaniline

2-fluoro-N,N,5-trimethylaniline (PubChem CID 118521335) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 2-fluoro-N,N,5-trimethylaniline.

Molecular Properties

Compound Name2-fluoro-N,N,5-trimethylaniline
PubChem CID118521335
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name2-fluoro-N,N,5-trimethylaniline
SMILESCc1ccc(F)c(N(C)C)c1
InChIInChI=1S/C9H12FN/c1-7-4-5-8(10)9(6-7)11(2)3/h4-6H,1-3H3
InChIKeyIOMQOLCJZRCQMG-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-2-fluoro-N,5-dimethylaniline
CID 174823652
2-fluoro-N,N-dimethyl-5-propan-2-ylaniline
CID 134375648
2-ethyl-N,N,5-trimethylaniline
CID 59382459
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline
CID 118835632
2-chloro-N,N,4-trimethylaniline
CID 4099980
trifluoro-(2-fluoro-5-methylphenyl)boranuide
CID 10420845
[3-(dimethylamino)-4-fluorophenyl]methanol;ethane
CID 144961766
1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine
CID 59688677
2-fluoro-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118824858
2-fluoro-4-methyl-N,N-bis(methylsulfanyl)aniline
CID 175447106

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N,5-trimethylaniline?
The IUPAC name of 2-fluoro-N,N,5-trimethylaniline (CID 118521335) is 2-fluoro-N,N,5-trimethylaniline.
What is the SMILES notation for 2-fluoro-N,N,5-trimethylaniline?
The canonical SMILES for 2-fluoro-N,N,5-trimethylaniline is Cc1ccc(F)c(N(C)C)c1.
What is the InChIKey of 2-fluoro-N,N,5-trimethylaniline?
The InChIKey is IOMQOLCJZRCQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-7-4-5-8(10)9(6-7)11(2)3/h4-6H,1-3H3.
What are the key properties of 2-fluoro-N,N,5-trimethylaniline?
2-fluoro-N,N,5-trimethylaniline has a molecular weight of 153.20 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N,5-trimethylaniline is sourced from PubChem (CID 118521335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).