N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine

C12H14FNO — CID 112716014

IUPACN-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1Oc2c(F)cccc2C1NC1CC1
InChIInChI=1S/C12H14FNO/c1-7-11(14-8-5-6-8)9-3-2-4-10(13)12(9)15-7/h2-4,7-8,11,14H,5-6H2,1H3
InChIKeyZSHWTAOXFUFKRX-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.40
Rot. Bonds2

About N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine

N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 112716014) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID112716014
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC NameN-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1Oc2c(F)cccc2C1NC1CC1
InChIInChI=1S/C12H14FNO/c1-7-11(14-8-5-6-8)9-3-2-4-10(13)12(9)15-7/h2-4,7-8,11,14H,5-6H2,1H3
InChIKeyZSHWTAOXFUFKRX-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 112716014) is N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CC1Oc2c(F)cccc2C1NC1CC1.
What is the InChIKey of N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is ZSHWTAOXFUFKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-7-11(14-8-5-6-8)9-3-2-4-10(13)12(9)15-7/h2-4,7-8,11,14H,5-6H2,1H3.
What are the key properties of N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 207.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 112716014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).