N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine

C16H23NO — CID 66364052

IUPACN-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine
SMILESCC(CCC1Cc2ccccc2O1)CNC1CC1
InChIInChI=1S/C16H23NO/c1-12(11-17-14-7-8-14)6-9-15-10-13-4-2-3-5-16(13)18-15/h2-5,12,14-15,17H,6-11H2,1H3
InChIKeyWUVMPEKCAWKJJO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.16
Rot. Bonds6

About N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine

N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine (PubChem CID 66364052) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine
PubChem CID66364052
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine
SMILESCC(CCC1Cc2ccccc2O1)CNC1CC1
InChIInChI=1S/C16H23NO/c1-12(11-17-14-7-8-14)6-9-15-10-13-4-2-3-5-16(13)18-15/h2-5,12,14-15,17H,6-11H2,1H3
InChIKeyWUVMPEKCAWKJJO-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 66364051
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
CID 115887352
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 66362834
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462285
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
CID 66363280

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine (CID 66364052) is N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine is CC(CCC1Cc2ccccc2O1)CNC1CC1.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine?
The InChIKey is WUVMPEKCAWKJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(11-17-14-7-8-14)6-9-15-10-13-4-2-3-5-16(13)18-15/h2-5,12,14-15,17H,6-11H2,1H3.
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine?
N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine has a molecular weight of 245.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 66364052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).