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

C18H28FNO — CID 66362436

IUPAC2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine
SMILESCCCNCC(C)(CCC)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C18H28FNO/c1-4-8-18(3,13-20-9-5-2)12-16-11-14-10-15(19)6-7-17(14)21-16/h6-7,10,16,20H,4-5,8-9,11-13H2,1-3H3
InChIKeyGSCLKDQKVRFDFH-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.33
Rot. Bonds8

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

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine (PubChem CID 66362436) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine
PubChem CID66362436
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine
SMILESCCCNCC(C)(CCC)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C18H28FNO/c1-4-8-18(3,13-20-9-5-2)12-16-11-14-10-15(19)6-7-17(14)21-16/h6-7,10,16,20H,4-5,8-9,11-13H2,1-3H3
InChIKeyGSCLKDQKVRFDFH-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine (CID 66362436) is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine is CCCNCC(C)(CCC)CC1Cc2cc(F)ccc2O1.
What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine?
The InChIKey is GSCLKDQKVRFDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-8-18(3,13-20-9-5-2)12-16-11-14-10-15(19)6-7-17(14)21-16/h6-7,10,16,20H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine?
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 66362436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).