N-cyclopropyl-2-fluoro-N,5-dimethylaniline

C11H14FN — CID 174823652

IUPACN-cyclopropyl-2-fluoro-N,5-dimethylaniline
SMILESCc1ccc(F)c(N(C)C2CC2)c1
InChIInChI=1S/C11H14FN/c1-8-3-6-10(12)11(7-8)13(2)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3
InChIKeySSLDRYSVLBHOQF-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.73
Rot. Bonds2

About N-cyclopropyl-2-fluoro-N,5-dimethylaniline

N-cyclopropyl-2-fluoro-N,5-dimethylaniline (PubChem CID 174823652) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N,5-dimethylaniline.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N,5-dimethylaniline
PubChem CID174823652
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-cyclopropyl-2-fluoro-N,5-dimethylaniline
SMILESCc1ccc(F)c(N(C)C2CC2)c1
InChIInChI=1S/C11H14FN/c1-8-3-6-10(12)11(7-8)13(2)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3
InChIKeySSLDRYSVLBHOQF-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N,5-dimethylaniline?
The IUPAC name of N-cyclopropyl-2-fluoro-N,5-dimethylaniline (CID 174823652) is N-cyclopropyl-2-fluoro-N,5-dimethylaniline.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N,5-dimethylaniline?
The canonical SMILES for N-cyclopropyl-2-fluoro-N,5-dimethylaniline is Cc1ccc(F)c(N(C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N,5-dimethylaniline?
The InChIKey is SSLDRYSVLBHOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-3-6-10(12)11(7-8)13(2)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3.
What are the key properties of N-cyclopropyl-2-fluoro-N,5-dimethylaniline?
N-cyclopropyl-2-fluoro-N,5-dimethylaniline has a molecular weight of 179.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N,5-dimethylaniline is sourced from PubChem (CID 174823652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).