N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine

C15H21NO — CID 79860663

IUPACN-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCC1(C)CCCC1Nc1ccc2c(c1)CCO2
InChIInChI=1S/C15H21NO/c1-15(2)8-3-4-14(15)16-12-5-6-13-11(10-12)7-9-17-13/h5-6,10,14,16H,3-4,7-9H2,1-2H3
InChIKeyWDGLRZZWYXVRAA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.61
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine

N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 79860663) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID79860663
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCC1(C)CCCC1Nc1ccc2c(c1)CCO2
InChIInChI=1S/C15H21NO/c1-15(2)8-3-4-14(15)16-12-5-6-13-11(10-12)7-9-17-13/h5-6,10,14,16H,3-4,7-9H2,1-2H3
InChIKeyWDGLRZZWYXVRAA-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.61
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-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79870440
3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633647
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861502
N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43732753
1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297673
N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
CID 61017067
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine
CID 104871540
N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine
CID 61308618
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 107181961
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine (CID 79860663) is N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine is CC1(C)CCCC1Nc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is WDGLRZZWYXVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2)8-3-4-14(15)16-12-5-6-13-11(10-12)7-9-17-13/h5-6,10,14,16H,3-4,7-9H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine?
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 231.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 79860663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).