1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine

C18H27NO2 — CID 66362925

IUPAC1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine
SMILESCc1ccc2c(c1)CC(COCC1(N)CCCCCC1)O2
InChIInChI=1S/C18H27NO2/c1-14-6-7-17-15(10-14)11-16(21-17)12-20-13-18(19)8-4-2-3-5-9-18/h6-7,10,16H,2-5,8-9,11-13,19H2,1H3
InChIKeyUKOJNYKMXOTNSH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.37
Rot. Bonds4

About 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine

1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine (PubChem CID 66362925) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine
PubChem CID66362925
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine
SMILESCc1ccc2c(c1)CC(COCC1(N)CCCCCC1)O2
InChIInChI=1S/C18H27NO2/c1-14-6-7-17-15(10-14)11-16(21-17)12-20-13-18(19)8-4-2-3-5-9-18/h6-7,10,16H,2-5,8-9,11-13,19H2,1H3
InChIKeyUKOJNYKMXOTNSH-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine (CID 66362925) is 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine is Cc1ccc2c(c1)CC(COCC1(N)CCCCCC1)O2.
What is the InChIKey of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine?
The InChIKey is UKOJNYKMXOTNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-6-7-17-15(10-14)11-16(21-17)12-20-13-18(19)8-4-2-3-5-9-18/h6-7,10,16H,2-5,8-9,11-13,19H2,1H3.
What are the key properties of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine?
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 66362925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).