N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine

C19H27NO — CID 114544145

IUPACN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCc1c(C(C)NC2CCC(C)(C)C2)oc2ccccc12
InChIInChI=1S/C19H27NO/c1-5-15-16-8-6-7-9-17(16)21-18(15)13(2)20-14-10-11-19(3,4)12-14/h6-9,13-14,20H,5,10-12H2,1-4H3
InChIKeyCAFCQGRYVDFWQT-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.22
Rot. Bonds4

About N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 114544145) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID114544145
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCc1c(C(C)NC2CCC(C)(C)C2)oc2ccccc12
InChIInChI=1S/C19H27NO/c1-5-15-16-8-6-7-9-17(16)21-18(15)13(2)20-14-10-11-19(3,4)12-14/h6-9,13-14,20H,5,10-12H2,1-4H3
InChIKeyCAFCQGRYVDFWQT-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine
CID 61462424
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715279
3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine
CID 114544332
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725869
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine
CID 80679367
1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine
CID 62536168
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine (CID 114544145) is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine is CCc1c(C(C)NC2CCC(C)(C)C2)oc2ccccc12.
What is the InChIKey of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is CAFCQGRYVDFWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-5-15-16-8-6-7-9-17(16)21-18(15)13(2)20-14-10-11-19(3,4)12-14/h6-9,13-14,20H,5,10-12H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114544145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).