2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine

C16H23NO — CID 114733537

IUPAC2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc2oc(CC(C)CNC(C)C)cc2c1
InChIInChI=1S/C16H23NO/c1-11(2)17-10-13(4)8-15-9-14-7-12(3)5-6-16(14)18-15/h5-7,9,11,13,17H,8,10H2,1-4H3
InChIKeyUOXGTHVOWJTYGM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.92
Rot. Bonds5

About 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine

2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 114733537) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID114733537
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc2oc(CC(C)CNC(C)C)cc2c1
InChIInChI=1S/C16H23NO/c1-11(2)17-10-13(4)8-15-9-14-7-12(3)5-6-16(14)18-15/h5-7,9,11,13,17H,8,10H2,1-4H3
InChIKeyUOXGTHVOWJTYGM-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733542
N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
CID 55013176
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 114733525
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine
CID 114733401
5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran
CID 114733936
N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65439011
2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114735149
3-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504583
N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 115677897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine (CID 114733537) is 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine is Cc1ccc2oc(CC(C)CNC(C)C)cc2c1.
What is the InChIKey of 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is UOXGTHVOWJTYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)17-10-13(4)8-15-9-14-7-12(3)5-6-16(14)18-15/h5-7,9,11,13,17H,8,10H2,1-4H3.
What are the key properties of 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine?
2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114733537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).