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2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine

C18H27NO — CID 66364972

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C18H27NO/c1-2-5-13-8-9-17(19)15(10-13)12-16-11-14-6-3-4-7-18(14)20-16/h3-4,6-7,13,15-17H,2,5,8-12,19H2,1H3
InChIKeyHQCMYHDHIRCKOR-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.92
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine (PubChem CID 66364972) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine
PubChem CID66364972
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C18H27NO/c1-2-5-13-8-9-17(19)15(10-13)12-16-11-14-6-3-4-7-18(14)20-16/h3-4,6-7,13,15-17H,2,5,8-12,19H2,1H3
InChIKeyHQCMYHDHIRCKOR-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine (CID 66364972) is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CC2Cc3ccccc3O2)C1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine?
The InChIKey is HQCMYHDHIRCKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-5-13-8-9-17(19)15(10-13)12-16-11-14-6-3-4-7-18(14)20-16/h3-4,6-7,13,15-17H,2,5,8-12,19H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine?
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.92, 4 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)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 66364972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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