2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

C18H29NO — CID 66364616

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)CC1Cc2ccccc2O1
InChIInChI=1S/C18H29NO/c1-5-18(4,13-19-12-14(2)3)11-16-10-15-8-6-7-9-17(15)20-16/h6-9,14,16,19H,5,10-13H2,1-4H3
InChIKeyWSJKVCPVIKICNW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds7

About 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 66364616) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID66364616
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)CC1Cc2ccccc2O1
InChIInChI=1S/C18H29NO/c1-5-18(4,13-19-12-14(2)3)11-16-10-15-8-6-7-9-17(15)20-16/h6-9,14,16,19H,5,10-13H2,1-4H3
InChIKeyWSJKVCPVIKICNW-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83150671
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 66363254
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 83159219
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83151189
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 66364834
N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 66360317
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol
CID 114169479

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 66364616) is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is CCC(C)(CNCC(C)C)CC1Cc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is WSJKVCPVIKICNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-18(4,13-19-12-14(2)3)11-16-10-15-8-6-7-9-17(15)20-16/h6-9,14,16,19H,5,10-13H2,1-4H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 66364616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).