N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine

C18H27NO2 — CID 91642196

IUPACN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCOc1cc(CNC2CCC(C)CC2)c2c(c1)CC(C)O2
InChIInChI=1S/C18H27NO2/c1-12-4-6-16(7-5-12)19-11-15-10-17(20-3)9-14-8-13(2)21-18(14)15/h9-10,12-13,16,19H,4-8,11H2,1-3H3
InChIKeyLQNOGXNLONSDJV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.69
Rot. Bonds4

About N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 91642196) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine
PubChem CID91642196
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCOc1cc(CNC2CCC(C)CC2)c2c(c1)CC(C)O2
InChIInChI=1S/C18H27NO2/c1-12-4-6-16(7-5-12)19-11-15-10-17(20-3)9-14-8-13(2)21-18(14)15/h9-10,12-13,16,19H,4-8,11H2,1-3H3
InChIKeyLQNOGXNLONSDJV-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine (CID 91642196) is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine is COc1cc(CNC2CCC(C)CC2)c2c(c1)CC(C)O2.
What is the InChIKey of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is LQNOGXNLONSDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-4-6-16(7-5-12)19-11-15-10-17(20-3)9-14-8-13(2)21-18(14)15/h9-10,12-13,16,19H,4-8,11H2,1-3H3.
What are the key properties of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine?
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 91642196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).