3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine

C18H27NO — CID 65445707

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine
SMILESCC1CCC(C(N)CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H27NO/c1-13-2-6-15(7-3-13)17(19)8-4-14-5-9-18-16(12-14)10-11-20-18/h5,9,12-13,15,17H,2-4,6-8,10-11,19H2,1H3
InChIKeyMKDTYNDZBMZWLI-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.71
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine (PubChem CID 65445707) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine
PubChem CID65445707
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine
SMILESCC1CCC(C(N)CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H27NO/c1-13-2-6-15(7-3-13)17(19)8-4-14-5-9-18-16(12-14)10-11-20-18/h5,9,12-13,15,17H,2-4,6-8,10-11,19H2,1H3
InChIKeyMKDTYNDZBMZWLI-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine
CID 115864482
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine
CID 65444583
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine
CID 65444965
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine
CID 116722245
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105152122
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-methylsulfonylpentan-3-amine
CID 115864525
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine (CID 65445707) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine is CC1CCC(C(N)CCc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine?
The InChIKey is MKDTYNDZBMZWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-2-6-15(7-3-13)17(19)8-4-14-5-9-18-16(12-14)10-11-20-18/h5,9,12-13,15,17H,2-4,6-8,10-11,19H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine is sourced from PubChem (CID 65445707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).