1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine

C18H25NO — CID 63462273

IUPAC1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2cc3ccccc3o2)CC1
InChIInChI=1S/C18H25NO/c1-13-7-9-15(10-8-13)12-19-14(2)18-11-16-5-3-4-6-17(16)20-18/h3-6,11,13-15,19H,7-10,12H2,1-2H3
InChIKeyIVXZHJKAUAKESI-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.91
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 63462273) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID63462273
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2cc3ccccc3o2)CC1
InChIInChI=1S/C18H25NO/c1-13-7-9-15(10-8-13)12-19-14(2)18-11-16-5-3-4-6-17(16)20-18/h3-6,11,13-15,19H,7-10,12H2,1-2H3
InChIKeyIVXZHJKAUAKESI-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906398
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417019
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
CID 63295328
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103781695
N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 63242718
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
CID 62314222
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 63462273) is 1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine is CC1CCC(CNC(C)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is IVXZHJKAUAKESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13-7-9-15(10-8-13)12-19-14(2)18-11-16-5-3-4-6-17(16)20-18/h3-6,11,13-15,19H,7-10,12H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 63462273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).