N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine

C15H22N2O — CID 116906138

IUPACN'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNC1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O/c1-17(2)14(10-16-13-4-5-13)11-3-6-15-12(9-11)7-8-18-15/h3,6,9,13-14,16H,4-5,7-8,10H2,1-2H3
InChIKeyFCYJCHVJBFXHJY-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.98
Rot. Bonds5

About N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine

N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 116906138) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID116906138
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNC1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O/c1-17(2)14(10-16-13-4-5-13)11-3-6-15-12(9-11)7-8-18-15/h3,6,9,13-14,16H,4-5,7-8,10H2,1-2H3
InChIKeyFCYJCHVJBFXHJY-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]oxamide
CID 90558113
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
CID 116905822
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 90557931
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-N-[2-(dimethylamino)ethyl]oxamide
CID 90558183
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 90557996
4-butyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
CID 90557948
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethylsulfanylbenzamide
CID 90557945
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(3,5-dimethylphenyl)urea
CID 90558202
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]furan-2-carboxamide
CID 121126923

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine (CID 116906138) is N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CNC1CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is FCYJCHVJBFXHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17(2)14(10-16-13-4-5-13)11-3-6-15-12(9-11)7-8-18-15/h3,6,9,13-14,16H,4-5,7-8,10H2,1-2H3.
What are the key properties of N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine?
N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 246.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 116906138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).