[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine

C18H27NO — CID 104545172

IUPAC[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C18H27NO/c1-2-3-13-4-5-16(12-19)17(10-13)14-6-7-18-15(11-14)8-9-20-18/h6-7,11,13,16-17H,2-5,8-10,12,19H2,1H3
InChIKeyMXWUKRMUGRAXHR-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.88
Rot. Bonds4

About [2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine

[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine (PubChem CID 104545172) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine
PubChem CID104545172
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C18H27NO/c1-2-3-13-4-5-16(12-19)17(10-13)14-6-7-18-15(11-14)8-9-20-18/h6-7,11,13,16-17H,2-5,8-10,12,19H2,1H3
InChIKeyMXWUKRMUGRAXHR-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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-5-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine (CID 104545172) is [2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(c2ccc3c(c2)CCO3)C1.
What is the InChIKey of [2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is MXWUKRMUGRAXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-3-13-4-5-16(12-19)17(10-13)14-6-7-18-15(11-14)8-9-20-18/h6-7,11,13,16-17H,2-5,8-10,12,19H2,1H3.
What are the key properties of [2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine?
[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 3.88, 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-5-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 104545172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).