4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine

C15H20N2O — CID 115149803

IUPAC4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1coc2ccccc12)C1CCC(N)CC1
InChIInChI=1S/C15H20N2O/c1-17(12-8-6-11(16)7-9-12)14-10-18-15-5-3-2-4-13(14)15/h2-5,10-12H,6-9,16H2,1H3
InChIKeyUINCDQCVJKCRBS-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.14
Rot. Bonds2

About 4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine

4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 115149803) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID115149803
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1coc2ccccc12)C1CCC(N)CC1
InChIInChI=1S/C15H20N2O/c1-17(12-8-6-11(16)7-9-12)14-10-18-15-5-3-2-4-13(14)15/h2-5,10-12H,6-9,16H2,1H3
InChIKeyUINCDQCVJKCRBS-UHFFFAOYSA-N
XLogP3.14
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
CID 115149469
N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
CID 115118778
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
4-N-(2-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029186
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
CID 115209916
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
CID 115256590
4-N-(2-ethoxyphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029195
3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine
CID 117040946
N-[(4-aminocyclohexyl)methyl]-1-benzofuran-3-amine
CID 115213357
4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117041404
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine (CID 115149803) is 4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine is CN(c1coc2ccccc12)C1CCC(N)CC1.
What is the InChIKey of 4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is UINCDQCVJKCRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(12-8-6-11(16)7-9-12)14-10-18-15-5-3-2-4-13(14)15/h2-5,10-12H,6-9,16H2,1H3.
What are the key properties of 4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 115149803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).