4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine

C19H31NO — CID 65306701

IUPAC4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)(C)CCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C19H31NO/c1-14(2)20-13-18(3,4)10-9-15-7-8-17-16(11-15)12-19(5,6)21-17/h7-8,11,14,20H,9-10,12-13H2,1-6H3
InChIKeyHDBTUWPOHSBGKN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.36
Rot. Bonds6

About 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine

4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 65306701) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID65306701
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)(C)CCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C19H31NO/c1-14(2)20-13-18(3,4)10-9-15-7-8-17-16(11-15)12-19(5,6)21-17/h7-8,11,14,20H,9-10,12-13H2,1-6H3
InChIKeyHDBTUWPOHSBGKN-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine (CID 65306701) is 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)(C)CCc1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is HDBTUWPOHSBGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)20-13-18(3,4)10-9-15-7-8-17-16(11-15)12-19(5,6)21-17/h7-8,11,14,20H,9-10,12-13H2,1-6H3.
What are the key properties of 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 65306701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).