2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine

C18H27NO — CID 66360867

IUPAC2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCc1ccc2c(c1)CC(CC1(CNC(C)(C)C)CC1)O2
InChIInChI=1S/C18H27NO/c1-13-5-6-16-14(9-13)10-15(20-16)11-18(7-8-18)12-19-17(2,3)4/h5-6,9,15,19H,7-8,10-12H2,1-4H3
InChIKeyGCUWYYFKECDLTH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.86
Rot. Bonds4

About 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine

2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66360867) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66360867
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCc1ccc2c(c1)CC(CC1(CNC(C)(C)C)CC1)O2
InChIInChI=1S/C18H27NO/c1-13-5-6-16-14(9-13)10-15(20-16)11-18(7-8-18)12-19-17(2,3)4/h5-6,9,15,19H,7-8,10-12H2,1-4H3
InChIKeyGCUWYYFKECDLTH-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine (CID 66360867) is 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine is Cc1ccc2c(c1)CC(CC1(CNC(C)(C)C)CC1)O2.
What is the InChIKey of 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is GCUWYYFKECDLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-5-6-16-14(9-13)10-15(20-16)11-18(7-8-18)12-19-17(2,3)4/h5-6,9,15,19H,7-8,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine?
2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66360867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).