N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine

C16H22FNO — CID 114733542

IUPACN-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)Cc1cc2cc(F)ccc2o1
InChIInChI=1S/C16H22FNO/c1-11(10-18-16(2,3)4)7-14-9-12-8-13(17)5-6-15(12)19-14/h5-6,8-9,11,18H,7,10H2,1-4H3
InChIKeyNGILMWDOOCGZIP-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.14
Rot. Bonds4

About N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine

N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 114733542) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
PubChem CID114733542
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)Cc1cc2cc(F)ccc2o1
InChIInChI=1S/C16H22FNO/c1-11(10-18-16(2,3)4)7-14-9-12-8-13(17)5-6-15(12)19-14/h5-6,8-9,11,18H,7,10H2,1-4H3
InChIKeyNGILMWDOOCGZIP-UHFFFAOYSA-N
XLogP4.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 64664802
2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine
CID 114733537
5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117175998
1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
CID 111579203
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 114733525
3-[(5-fluoro-1-benzofuran-2-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824890
5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran
CID 114733936
4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733754
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 114735623
5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
CID 111447978

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine (CID 114733542) is N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine is CC(CNC(C)(C)C)Cc1cc2cc(F)ccc2o1.
What is the InChIKey of N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is NGILMWDOOCGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11(10-18-16(2,3)4)7-14-9-12-8-13(17)5-6-15(12)19-14/h5-6,8-9,11,18H,7,10H2,1-4H3.
What are the key properties of N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 114733542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).