4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine

C18H25NO — CID 43761485

IUPAC4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine
SMILESCc1c(C(C)NC2CCC(C)CC2)oc2ccccc12
InChIInChI=1S/C18H25NO/c1-12-8-10-15(11-9-12)19-14(3)18-13(2)16-6-4-5-7-17(16)20-18/h4-7,12,14-15,19H,8-11H2,1-3H3
InChIKeyOZMMWTHWZQKKNS-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.97
Rot. Bonds3

About 4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine

4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 43761485) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine
PubChem CID43761485
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine
SMILESCc1c(C(C)NC2CCC(C)CC2)oc2ccccc12
InChIInChI=1S/C18H25NO/c1-12-8-10-15(11-9-12)19-14(3)18-13(2)16-6-4-5-7-17(16)20-18/h4-7,12,14-15,19H,8-11H2,1-3H3
InChIKeyOZMMWTHWZQKKNS-UHFFFAOYSA-N
XLogP4.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine (CID 43761485) is 4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine is Cc1c(C(C)NC2CCC(C)CC2)oc2ccccc12.
What is the InChIKey of 4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is OZMMWTHWZQKKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-12-8-10-15(11-9-12)19-14(3)18-13(2)16-6-4-5-7-17(16)20-18/h4-7,12,14-15,19H,8-11H2,1-3H3.
What are the key properties of 4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine?
4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43761485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).