2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine

C18H27NO — CID 65304047

IUPAC2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
SMILESCNCCC1(CCc2ccc3c(c2)CCO3)CCCC1
InChIInChI=1S/C18H27NO/c1-19-12-11-18(8-2-3-9-18)10-6-15-4-5-17-16(14-15)7-13-20-17/h4-5,14,19H,2-3,6-13H2,1H3
InChIKeyNVROELZZNMYLHN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.72
Rot. Bonds6

About 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine

2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine (PubChem CID 65304047) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
PubChem CID65304047
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
SMILESCNCCC1(CCc2ccc3c(c2)CCO3)CCCC1
InChIInChI=1S/C18H27NO/c1-19-12-11-18(8-2-3-9-18)10-6-15-4-5-17-16(14-15)7-13-20-17/h4-5,14,19H,2-3,6-13H2,1H3
InChIKeyNVROELZZNMYLHN-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylcyclohexan-1-amine
CID 65445021
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303462
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836809
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79426418
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 106813163
N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
CID 65303003
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopentyl]methanol
CID 65445774
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79870440
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine
CID 112563003
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol
CID 65446994
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 114757582
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 111334716

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine?
The IUPAC name of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine (CID 65304047) is 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine?
The canonical SMILES for 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine is CNCCC1(CCc2ccc3c(c2)CCO3)CCCC1.
What is the InChIKey of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine?
The InChIKey is NVROELZZNMYLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-19-12-11-18(8-2-3-9-18)10-6-15-4-5-17-16(14-15)7-13-20-17/h4-5,14,19H,2-3,6-13H2,1H3.
What are the key properties of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine?
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine has a molecular weight of 273.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine is sourced from PubChem (CID 65304047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).