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

C15H22FNO — CID 66363725

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H22FNO/c1-10(2)11(3)8-17-9-14-7-12-6-13(16)4-5-15(12)18-14/h4-6,10-11,14,17H,7-9H2,1-3H3
InChIKeyHQQIXEYFEPTGIN-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.01
Rot. Bonds5

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 66363725) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID66363725
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H22FNO/c1-10(2)11(3)8-17-9-14-7-12-6-13(16)4-5-15(12)18-14/h4-6,10-11,14,17H,7-9H2,1-3H3
InChIKeyHQQIXEYFEPTGIN-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.01
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]-3-methylbutan-1-amine
CID 66363121
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66361291
2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexan-1-amine
CID 107820044
2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938249
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359131
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 66365064
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-methoxypropan-1-amine
CID 66365462
1-chloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpentan-3-amine
CID 106353817

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine (CID 66363725) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNCC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is HQQIXEYFEPTGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(2)11(3)8-17-9-14-7-12-6-13(16)4-5-15(12)18-14/h4-6,10-11,14,17H,7-9H2,1-3H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 66363725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).