N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine

C10H12FNO — CID 80694200

IUPACN-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESFCCNC1COc2ccccc21
InChIInChI=1S/C10H12FNO/c11-5-6-12-9-7-13-10-4-2-1-3-8(9)10/h1-4,9,12H,5-7H2
InChIKeyMHMNKSCEARPGPH-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.68
Rot. Bonds3

About N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine

N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 80694200) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID80694200
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC NameN-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESFCCNC1COc2ccccc21
InChIInChI=1S/C10H12FNO/c11-5-6-12-9-7-13-10-4-2-1-3-8(9)10/h1-4,9,12H,5-7H2
InChIKeyMHMNKSCEARPGPH-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64553362
7-chloro-N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 131089948
N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine
CID 114472320
N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine
CID 115709754
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 79883117
tert-butyl N-[2-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]carbamate
CID 115615306
N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378811
N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378721
N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378996
N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 115653449
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 63378858
N-(2,3-dihydro-1-benzofuran-3-yl)ethanesulfonamide
CID 62065932

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine (CID 80694200) is N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine is FCCNC1COc2ccccc21.
What is the InChIKey of N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MHMNKSCEARPGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-5-6-12-9-7-13-10-4-2-1-3-8(9)10/h1-4,9,12H,5-7H2.
What are the key properties of N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine?
N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 181.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 80694200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).