N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine

C15H21NO — CID 103561957

IUPACN-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)C1CC(NC2COc3ccccc32)C1
InChIInChI=1S/C15H21NO/c1-10(2)11-7-12(8-11)16-14-9-17-15-6-4-3-5-13(14)15/h3-6,10-12,14,16H,7-9H2,1-2H3
InChIKeyNSLVMAASNXSLBH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.14
Rot. Bonds3

About N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine

N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 103561957) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID103561957
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)C1CC(NC2COc3ccccc32)C1
InChIInChI=1S/C15H21NO/c1-10(2)11-7-12(8-11)16-14-9-17-15-6-4-3-5-13(14)15/h3-6,10-12,14,16H,7-9H2,1-2H3
InChIKeyNSLVMAASNXSLBH-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-yl)propane-2-sulfonamide
CID 62066112
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 115418421
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701175
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64763118
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
CID 79857768
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103495167
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446113

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine (CID 103561957) is N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine is CC(C)C1CC(NC2COc3ccccc32)C1.
What is the InChIKey of N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is NSLVMAASNXSLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)11-7-12(8-11)16-14-9-17-15-6-4-3-5-13(14)15/h3-6,10-12,14,16H,7-9H2,1-2H3.
What are the key properties of N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine?
N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 231.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 103561957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).