N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine

C17H24ClNO — CID 114735722

IUPACN-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine
SMILESCC(C)(C)NCCC(C)(C)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H24ClNO/c1-16(2,3)19-9-8-17(4,5)15-11-12-10-13(18)6-7-14(12)20-15/h6-7,10-11,19H,8-9H2,1-5H3
InChIKeyQGAUVXMALAJUQF-UHFFFAOYSA-N
MW293.84 g/mol
LogP5.14
Rot. Bonds4

About N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine

N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine (PubChem CID 114735722) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine
PubChem CID114735722
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine
SMILESCC(C)(C)NCCC(C)(C)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H24ClNO/c1-16(2,3)19-9-8-17(4,5)15-11-12-10-13(18)6-7-14(12)20-15/h6-7,10-11,19H,8-9H2,1-5H3
InChIKeyQGAUVXMALAJUQF-UHFFFAOYSA-N
XLogP5.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.84
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
3-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735490
1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol
CID 114724598
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 114862692
1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
CID 114722955
1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol
CID 114724291
1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114723015
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
1-(5-chloro-1-benzofuran-2-yl)-1-(3-methylphenyl)ethanol
CID 114722975
ethyl 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroacetate
CID 114732688
1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol
CID 114723050
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine (CID 114735722) is N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine is CC(C)(C)NCCC(C)(C)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine?
The InChIKey is QGAUVXMALAJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-16(2,3)19-9-8-17(4,5)15-11-12-10-13(18)6-7-14(12)20-15/h6-7,10-11,19H,8-9H2,1-5H3.
What are the key properties of N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine?
N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 5.14, 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-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 114735722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).