2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine

C17H27NO — CID 19078634

IUPAC2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1NCC(C)C)CC(C)(C)O2
InChIInChI=1S/C17H27NO/c1-10(2)9-18-15-11(3)12(4)16-14(13(15)5)8-17(6,7)19-16/h10,18H,8-9H2,1-7H3
InChIKeyYVOPAFYOHBLLJQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.39
Rot. Bonds3

About 2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine

2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine (PubChem CID 19078634) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine
PubChem CID19078634
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1NCC(C)C)CC(C)(C)O2
InChIInChI=1S/C17H27NO/c1-10(2)9-18-15-11(3)12(4)16-14(13(15)5)8-17(6,7)19-16/h10,18H,8-9H2,1-7H3
InChIKeyYVOPAFYOHBLLJQ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 19078609
2,2,4,5,7-pentamethyl-3H-1-benzofuran
CID 19047070
5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran
CID 69097885
N-ethyl-2-(3-fluoropropyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 142633159
2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride
CID 162311849
methyl 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonate
CID 118512772
3-(2,2,4,6-tetramethyl-5-propan-2-yloxy-3H-1-benzofuran-7-yl)propan-1-ol
CID 19877344
7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol
CID 20650278
ethane;2,2,4,7-tetramethyl-3H-1-benzofuran
CID 177194510
(E,2R,5S)-7-methyl-2-(2-methylpropyl)-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]oct-3-enoic acid
CID 10648869
phenyl 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonate
CID 11393854
N-[2-(2-fluorophenyl)ethyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide
CID 146256446

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine (CID 19078634) is 2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1NCC(C)C)CC(C)(C)O2.
What is the InChIKey of 2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine?
The InChIKey is YVOPAFYOHBLLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-10(2)9-18-15-11(3)12(4)16-14(13(15)5)8-17(6,7)19-16/h10,18H,8-9H2,1-7H3.
What are the key properties of 2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine?
2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine has a molecular weight of 261.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine is sourced from PubChem (CID 19078634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).