N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine

C19H25NO — CID 105045128

IUPACN-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(C)ccc2o1)C1C2CCCCC21
InChIInChI=1S/C19H25NO/c1-3-20-19(18-14-6-4-5-7-15(14)18)17-11-13-10-12(2)8-9-16(13)21-17/h8-11,14-15,18-20H,3-7H2,1-2H3
InChIKeyNCTLBQLFRJQHRY-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.83
Rot. Bonds4

About N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine

N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 105045128) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID105045128
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(C)ccc2o1)C1C2CCCCC21
InChIInChI=1S/C19H25NO/c1-3-20-19(18-14-6-4-5-7-15(14)18)17-11-13-10-12(2)8-9-16(13)21-17/h8-11,14-15,18-20H,3-7H2,1-2H3
InChIKeyNCTLBQLFRJQHRY-UHFFFAOYSA-N
XLogP4.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
N-[(5-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 114729168
N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine
CID 105043984
N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
CID 115789774
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
[(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105231380
N-[1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045384
2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729027
[2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105227379
N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863656
N-[(5-methyl-1-benzofuran-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841419

Frequently Asked Questions

What is the IUPAC name of N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine (CID 105045128) is N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine is CCNC(c1cc2cc(C)ccc2o1)C1C2CCCCC21.
What is the InChIKey of N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is NCTLBQLFRJQHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-20-19(18-14-6-4-5-7-15(14)18)17-11-13-10-12(2)8-9-16(13)21-17/h8-11,14-15,18-20H,3-7H2,1-2H3.
What are the key properties of N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine?
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 283.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 105045128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).