N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine

C16H23NO — CID 115714913

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NC(C)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C16H23NO/c1-11-3-5-15(9-11)17-12(2)13-4-6-16-14(10-13)7-8-18-16/h4,6,10-12,15,17H,3,5,7-9H2,1-2H3
InChIKeyPSZGVNOIDQQMCB-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.46
Rot. Bonds3

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

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine (PubChem CID 115714913) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
PubChem CID115714913
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NC(C)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C16H23NO/c1-11-3-5-15(9-11)17-12(2)13-4-6-16-14(10-13)7-8-18-16/h4,6,10-12,15,17H,3,5,7-9H2,1-2H3
InChIKeyPSZGVNOIDQQMCB-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methylsulfonylphenyl)cyclopentan-1-amine
CID 77407497
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61039770
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64734545
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861502
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
tert-butyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]piperidine-1-carboxylate
CID 113261588
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785860

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine (CID 115714913) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine is CC1CCC(NC(C)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine?
The InChIKey is PSZGVNOIDQQMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-3-5-15(9-11)17-12(2)13-4-6-16-14(10-13)7-8-18-16/h4,6,10-12,15,17H,3,5,7-9H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 115714913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).