1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine

C14H18FNO — CID 66364285

IUPAC1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCC(NCC1Cc2cc(F)ccc2O1)C1CC1
InChIInChI=1S/C14H18FNO/c1-9(10-2-3-10)16-8-13-7-11-6-12(15)4-5-14(11)17-13/h4-6,9-10,13,16H,2-3,7-8H2,1H3
InChIKeyGHALEGRQXWBXQF-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.52
Rot. Bonds4

About 1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine

1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 66364285) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID66364285
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCC(NCC1Cc2cc(F)ccc2O1)C1CC1
InChIInChI=1S/C14H18FNO/c1-9(10-2-3-10)16-8-13-7-11-6-12(15)4-5-14(11)17-13/h4-6,9-10,13,16H,2-3,7-8H2,1H3
InChIKeyGHALEGRQXWBXQF-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 81385411
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 66364286
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938249
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892
1-chloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpentan-3-amine
CID 106353817
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclohexylethanamine
CID 66391635
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 66363325
(1R)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409531
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81364235
2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66361291
1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364691

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine (CID 66364285) is 1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine is CC(NCC1Cc2cc(F)ccc2O1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is GHALEGRQXWBXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9(10-2-3-10)16-8-13-7-11-6-12(15)4-5-14(11)17-13/h4-6,9-10,13,16H,2-3,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 235.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 66364285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).