2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine

C19H27NO — CID 105045483

IUPAC2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
SMILESCNC(CC1CCCCCC1)c1cc2cccc(C)c2o1
InChIInChI=1S/C19H27NO/c1-14-8-7-11-16-13-18(21-19(14)16)17(20-2)12-15-9-5-3-4-6-10-15/h7-8,11,13,15,17,20H,3-6,9-10,12H2,1-2H3
InChIKeyBSXJGDVIRGKCSF-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.36
Rot. Bonds4

About 2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine

2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 105045483) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID105045483
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
SMILESCNC(CC1CCCCCC1)c1cc2cccc(C)c2o1
InChIInChI=1S/C19H27NO/c1-14-8-7-11-16-13-18(21-19(14)16)17(20-2)12-15-9-5-3-4-6-10-15/h7-8,11,13,15,17,20H,3-6,9-10,12H2,1-2H3
InChIKeyBSXJGDVIRGKCSF-UHFFFAOYSA-N
XLogP5.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
CID 114730852
1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
CID 105151800
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
[2-cyclopropyl-1-(7-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338377
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
CID 114729155
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 114728964
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine (CID 105045483) is 2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine is CNC(CC1CCCCCC1)c1cc2cccc(C)c2o1.
What is the InChIKey of 2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is BSXJGDVIRGKCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-14-8-7-11-16-13-18(21-19(14)16)17(20-2)12-15-9-5-3-4-6-10-15/h7-8,11,13,15,17,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of 2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 285.43 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 105045483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).