1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine

C17H26FNO — CID 66365123

IUPAC1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H26FNO/c1-4-8-19-16(5-2)12(3)9-15-11-13-10-14(18)6-7-17(13)20-15/h6-7,10,12,15-16,19H,4-5,8-9,11H2,1-3H3
InChIKeyONIKQZKQXYLOMU-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.93
Rot. Bonds7

About 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine (PubChem CID 66365123) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine
PubChem CID66365123
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H26FNO/c1-4-8-19-16(5-2)12(3)9-15-11-13-10-14(18)6-7-17(13)20-15/h6-7,10,12,15-16,19H,4-5,8-9,11H2,1-3H3
InChIKeyONIKQZKQXYLOMU-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-methylbutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360498
N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 66364733
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine
CID 66361681
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylbutan-1-amine
CID 66362644
2-[2-(chloromethyl)-3-methylbutyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 66362279
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
1-chloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpentan-3-amine
CID 106353817
1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine
CID 66363030
2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938249

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine (CID 66365123) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine is CCCNC(CC)C(C)CC1Cc2cc(F)ccc2O1.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine?
The InChIKey is ONIKQZKQXYLOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-8-19-16(5-2)12(3)9-15-11-13-10-14(18)6-7-17(13)20-15/h6-7,10,12,15-16,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine?
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine has a molecular weight of 279.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 66365123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).