1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine

C16H14F3NO — CID 63050382

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
SMILESFc1cc(CNCC2Cc3ccccc3O2)cc(F)c1F
InChIInChI=1S/C16H14F3NO/c17-13-5-10(6-14(18)16(13)19)8-20-9-12-7-11-3-1-2-4-15(11)21-12/h1-6,12,20H,7-9H2
InChIKeyWCQSJAWHXUZQKC-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.20
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine

1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine (PubChem CID 63050382) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
PubChem CID63050382
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
SMILESFc1cc(CNCC2Cc3ccccc3O2)cc(F)c1F
InChIInChI=1S/C16H14F3NO/c17-13-5-10(6-14(18)16(13)19)8-20-9-12-7-11-3-1-2-4-15(11)21-12/h1-6,12,20H,7-9H2
InChIKeyWCQSJAWHXUZQKC-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]methanamine
CID 63646715
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
N-[(3-bromo-4-chlorophenyl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 83230829
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 78860744
N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 54895688
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62338719
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 62998098

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine (CID 63050382) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine is Fc1cc(CNCC2Cc3ccccc3O2)cc(F)c1F.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine?
The InChIKey is WCQSJAWHXUZQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-13-5-10(6-14(18)16(13)19)8-20-9-12-7-11-3-1-2-4-15(11)21-12/h1-6,12,20H,7-9H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine has a molecular weight of 293.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine is sourced from PubChem (CID 63050382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).