N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine

C19H27NO — CID 63454846

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCCc1oc2ccccc2c1CNCC1CCCCC1C
InChIInChI=1S/C19H27NO/c1-3-18-17(16-10-6-7-11-19(16)21-18)13-20-12-15-9-5-4-8-14(15)2/h6-7,10-11,14-15,20H,3-5,8-9,12-13H2,1-2H3
InChIKeyHXRVFQUKTJWOQO-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.91
Rot. Bonds5

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine (PubChem CID 63454846) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine
PubChem CID63454846
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCCc1oc2ccccc2c1CNCC1CCCCC1C
InChIInChI=1S/C19H27NO/c1-3-18-17(16-10-6-7-11-19(16)21-18)13-20-12-15-9-5-4-8-14(15)2/h6-7,10-11,14-15,20H,3-5,8-9,12-13H2,1-2H3
InChIKeyHXRVFQUKTJWOQO-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine (CID 63454846) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine is CCc1oc2ccccc2c1CNCC1CCCCC1C.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine?
The InChIKey is HXRVFQUKTJWOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-18-17(16-10-6-7-11-19(16)21-18)13-20-12-15-9-5-4-8-14(15)2/h6-7,10-11,14-15,20H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine has a molecular weight of 285.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine is sourced from PubChem (CID 63454846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).