N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine

C16H21NO — CID 43080449

IUPACN-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1cc2ccccc2o1
InChIInChI=1S/C16H21NO/c1-12-6-2-4-8-15(12)17-11-14-10-13-7-3-5-9-16(13)18-14/h3,5,7,9-10,12,15,17H,2,4,6,8,11H2,1H3
InChIKeyDEVKMBSJRCDVHZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.10
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine

N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine (PubChem CID 43080449) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine
PubChem CID43080449
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1cc2ccccc2o1
InChIInChI=1S/C16H21NO/c1-12-6-2-4-8-15(12)17-11-14-10-13-7-3-5-9-16(13)18-14/h3,5,7,9-10,12,15,17H,2,4,6,8,11H2,1H3
InChIKeyDEVKMBSJRCDVHZ-UHFFFAOYSA-N
XLogP4.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine (CID 43080449) is N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine is CC1CCCCC1NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine?
The InChIKey is DEVKMBSJRCDVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-6-2-4-8-15(12)17-11-14-10-13-7-3-5-9-16(13)18-14/h3,5,7,9-10,12,15,17H,2,4,6,8,11H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine?
N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43080449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).