2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine

C19H29NO — CID 114457557

IUPAC2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCNC(CC1CCCCCC1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C19H29NO/c1-14-11-17-13-16(9-10-19(17)21-14)18(20-2)12-15-7-5-3-4-6-8-15/h9-10,13-15,18,20H,3-8,11-12H2,1-2H3
InChIKeyMLMPUTKTBFSBDR-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.63
Rot. Bonds4

About 2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine

2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 114457557) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID114457557
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCNC(CC1CCCCCC1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C19H29NO/c1-14-11-17-13-16(9-10-19(17)21-14)18(20-2)12-15-7-5-3-4-6-8-15/h9-10,13-15,18,20H,3-8,11-12H2,1-2H3
InChIKeyMLMPUTKTBFSBDR-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 55032271
3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43493488
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine
CID 65156028
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine
CID 55131785
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
CID 115842237
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107177306
1-(1,1-dioxothian-2-yl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 104518545

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 114457557) is 2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is CNC(CC1CCCCCC1)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is MLMPUTKTBFSBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-11-17-13-16(9-10-19(17)21-14)18(20-2)12-15-7-5-3-4-6-8-15/h9-10,13-15,18,20H,3-8,11-12H2,1-2H3.
What are the key properties of 2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.63, 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-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 114457557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).