N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine

C16H23NO — CID 65439011

IUPACN-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C16H23NO/c1-11(2)17-10-14-9-12-8-13(16(3,4)5)6-7-15(12)18-14/h6-9,11,17H,10H2,1-5H3
InChIKeyKWKRWOUAVLFMNZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.23
Rot. Bonds3

About N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 65439011) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID65439011
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C16H23NO/c1-11(2)17-10-14-9-12-8-13(16(3,4)5)6-7-15(12)18-14/h6-9,11,17H,10H2,1-5H3
InChIKeyKWKRWOUAVLFMNZ-UHFFFAOYSA-N
XLogP4.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.23
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
5-tert-butyl-2-(chloromethyl)-1-benzofuran
CID 46398310
N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
CID 54924309
N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 115677897
N-[(5-tert-butyl-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049022
5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran
CID 102492573
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine
CID 117195061
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine
CID 114733537
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
5-tert-butyl-2-[(propan-2-ylamino)methyl]phenol
CID 10331105
5-tert-butyl-2-(trifluoromethyl)-1-benzofuran
CID 171548664

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 65439011) is N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine is CC(C)NCc1cc2cc(C(C)(C)C)ccc2o1.
What is the InChIKey of N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is KWKRWOUAVLFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)17-10-14-9-12-8-13(16(3,4)5)6-7-15(12)18-14/h6-9,11,17H,10H2,1-5H3.
What are the key properties of N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 65439011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).