N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride

C10H13ClFN — CID 138393814

IUPACN-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
SMILESCN(c1ccccc1F)C1CC1.Cl
InChIInChI=1S/C10H12FN.ClH/c1-12(8-6-7-8)10-5-3-2-4-9(10)11;/h2-5,8H,6-7H2,1H3;1H
InChIKeyIORLYJAUNFDASO-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.85
Rot. Bonds2

About N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride

N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride (PubChem CID 138393814) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
PubChem CID138393814
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC NameN-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
SMILESCN(c1ccccc1F)C1CC1.Cl
InChIInChI=1S/C10H12FN.ClH/c1-12(8-6-7-8)10-5-3-2-4-9(10)11;/h2-5,8H,6-7H2,1H3;1H
InChIKeyIORLYJAUNFDASO-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.85
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-methylaniline;hydrochloride?
The IUPAC name of N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride (CID 138393814) is N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride is CN(c1ccccc1F)C1CC1.Cl.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride?
The InChIKey is IORLYJAUNFDASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN.ClH/c1-12(8-6-7-8)10-5-3-2-4-9(10)11;/h2-5,8H,6-7H2,1H3;1H.
What are the key properties of N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride?
N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride has a molecular weight of 201.67 g/mol, XLogP of 2.85, 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-methylaniline;hydrochloride is sourced from PubChem (CID 138393814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).