1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine

C18H28FNO — CID 66361681

IUPAC1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)CCCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C18H28FNO/c1-3-6-16(20-11-4-2)7-5-8-17-13-14-12-15(19)9-10-18(14)21-17/h9-10,12,16-17,20H,3-8,11,13H2,1-2H3
InChIKeyUWNITCNPAMJRGA-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.47
Rot. Bonds9

About 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine (PubChem CID 66361681) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine
PubChem CID66361681
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)CCCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C18H28FNO/c1-3-6-16(20-11-4-2)7-5-8-17-13-14-12-15(19)9-10-18(14)21-17/h9-10,12,16-17,20H,3-8,11,13H2,1-2H3
InChIKeyUWNITCNPAMJRGA-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine
CID 66365123
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylbutan-1-amine
CID 66362644
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 66360718
N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine
CID 66360716
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 66362834
2-(3-bromobutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360114
1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
CID 105375522
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one
CID 66364329
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
N-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 66364733
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine (CID 66361681) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine is CCCNC(CCC)CCCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine?
The InChIKey is UWNITCNPAMJRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-6-16(20-11-4-2)7-5-8-17-13-14-12-15(19)9-10-18(14)21-17/h9-10,12,16-17,20H,3-8,11,13H2,1-2H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine?
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine has a molecular weight of 293.43 g/mol, XLogP of 4.47, 9 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)-N-propylheptan-4-amine is sourced from PubChem (CID 66361681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).