2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine

C14H19NO — CID 83821795

IUPAC2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)c1ccc2occc2c1
InChIInChI=1S/C14H19NO/c1-14(2,3)12(9-15)10-4-5-13-11(8-10)6-7-16-13/h4-8,12H,9,15H2,1-3H3
InChIKeyPSDXHNBDOWFWGL-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.52
Rot. Bonds2

About 2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine

2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine (PubChem CID 83821795) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine
PubChem CID83821795
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)c1ccc2occc2c1
InChIInChI=1S/C14H19NO/c1-14(2,3)12(9-15)10-4-5-13-11(8-10)6-7-16-13/h4-8,12H,9,15H2,1-3H3
InChIKeyPSDXHNBDOWFWGL-UHFFFAOYSA-N
XLogP3.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 112709888
5-(dimethoxymethyl)-1-benzofuran
CID 11816358
1-(1-benzofuran-5-yl)-3-bromopropane-1,2-diol
CID 171860132
2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine
CID 83835621
2-(1-benzofuran-5-yl)-2-bromoacetaldehyde
CID 87653601
2-(3-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 82078166
2-(1-benzofuran-5-yl)-2-hydroxyacetic acid
CID 82403049
1-(1-benzofuran-5-yl)butylurea
CID 19934315
(2S)-1-(1-benzofuran-5-yl)butan-2-amine
CID 168924100
5-(propan-2-yloxymethyl)-1-benzofuran
CID 166645966
3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine
CID 166892612
5-(diphenoxymethyl)-1-benzofuran
CID 140773853

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine (CID 83821795) is 2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine is CC(C)(C)C(CN)c1ccc2occc2c1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is PSDXHNBDOWFWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)12(9-15)10-4-5-13-11(8-10)6-7-16-13/h4-8,12H,9,15H2,1-3H3.
What are the key properties of 2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine?
2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83821795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).