N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

C19H29NO — CID 81041095

IUPACN-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)oc2c(C)cc(C(C)(C)C)cc12
InChIInChI=1S/C19H29NO/c1-12-9-14(18(3,4)5)10-15-13(2)16(21-17(12)15)11-20-19(6,7)8/h9-10,20H,11H2,1-8H3
InChIKeyUQYFPUKNHABQDO-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.24
Rot. Bonds2

About N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 81041095) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID81041095
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)oc2c(C)cc(C(C)(C)C)cc12
InChIInChI=1S/C19H29NO/c1-12-9-14(18(3,4)5)10-15-13(2)16(21-17(12)15)11-20-19(6,7)8/h9-10,20H,11H2,1-8H3
InChIKeyUQYFPUKNHABQDO-UHFFFAOYSA-N
XLogP5.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048795
N-[(7-bromo-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048068
N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81041067
N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048503
N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398943
N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 115410731
N-[(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049450
N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048672
N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62444441
N-[(5-tert-butyl-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049022
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62445953
N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 82129150

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (CID 81041095) is N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is Cc1c(CNC(C)(C)C)oc2c(C)cc(C(C)(C)C)cc12.
What is the InChIKey of N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is UQYFPUKNHABQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-12-9-14(18(3,4)5)10-15-13(2)16(21-17(12)15)11-20-19(6,7)8/h9-10,20H,11H2,1-8H3.
What are the key properties of N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81041095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).