N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine

C16H24FNO — CID 66364733

IUPACN-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
SMILESCCNC(C)C(CC)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C16H24FNO/c1-4-12(11(3)18-5-2)9-15-10-13-8-14(17)6-7-16(13)19-15/h6-8,11-12,15,18H,4-5,9-10H2,1-3H3
InChIKeyKMZKYLSJJBTHDY-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine

N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine (PubChem CID 66364733) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
PubChem CID66364733
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
SMILESCCNC(C)C(CC)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C16H24FNO/c1-4-12(11(3)18-5-2)9-15-10-13-8-14(17)6-7-16(13)19-15/h6-8,11-12,15,18H,4-5,9-10H2,1-3H3
InChIKeyKMZKYLSJJBTHDY-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
2-[2-(chloromethyl)-3-methylbutyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 66362279
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine
CID 66365123
2-(3-bromo-2-methylbutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360498
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938249
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 66360046
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 66362834
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892
2-(3-bromobutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360114
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine?
The IUPAC name of N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine (CID 66364733) is N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine?
The canonical SMILES for N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine is CCNC(C)C(CC)CC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine?
The InChIKey is KMZKYLSJJBTHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-12(11(3)18-5-2)9-15-10-13-8-14(17)6-7-16(13)19-15/h6-8,11-12,15,18H,4-5,9-10H2,1-3H3.
What are the key properties of N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine?
N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine has a molecular weight of 265.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 66364733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).