N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine

C15H13F2NO — CID 43732631

IUPACN-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESFc1ccc(CNc2ccc3c(c2)CCO3)cc1F
InChIInChI=1S/C15H13F2NO/c16-13-3-1-10(7-14(13)17)9-18-12-2-4-15-11(8-12)5-6-19-15/h1-4,7-8,18H,5-6,9H2
InChIKeySTPBNALFYNFSCS-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.51
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine

N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43732631) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43732631
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESFc1ccc(CNc2ccc3c(c2)CCO3)cc1F
InChIInChI=1S/C15H13F2NO/c16-13-3-1-10(7-14(13)17)9-18-12-2-4-15-11(8-12)5-6-19-15/h1-4,7-8,18H,5-6,9H2
InChIKeySTPBNALFYNFSCS-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]-2-fluorobenzonitrile
CID 103756683
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115762404
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoroaniline
CID 107572629
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115526259
N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732620
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 43732631) is N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is Fc1ccc(CNc2ccc3c(c2)CCO3)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is STPBNALFYNFSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-13-3-1-10(7-14(13)17)9-18-12-2-4-15-11(8-12)5-6-19-15/h1-4,7-8,18H,5-6,9H2.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 261.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43732631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).