N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine

C15H19NO — CID 61308618

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc2c(cc1NC1CC3CCC1C3)CCO2
InChIInChI=1S/C15H19NO/c1-2-11-7-10(1)8-14(11)16-13-3-4-15-12(9-13)5-6-17-15/h3-4,9-11,14,16H,1-2,5-8H2
InChIKeyPHHKDLVUDDUKOR-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.22
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine

N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 61308618) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID61308618
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc2c(cc1NC1CC3CCC1C3)CCO2
InChIInChI=1S/C15H19NO/c1-2-11-7-10(1)8-14(11)16-13-3-4-15-12(9-13)5-6-17-15/h3-4,9-11,14,16H,1-2,5-8H2
InChIKeyPHHKDLVUDDUKOR-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoro-1,3-benzodioxol-5-amine
CID 63422949
N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
CID 61017067
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine
CID 104871540
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101
N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43732753
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 43761065
N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79537602
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79860663
3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633647

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine (CID 61308618) is N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine is c1cc2c(cc1NC1CC3CCC1C3)CCO2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is PHHKDLVUDDUKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-11-7-10(1)8-14(11)16-13-3-4-15-12(9-13)5-6-17-15/h3-4,9-11,14,16H,1-2,5-8H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine?
N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 229.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 61308618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).