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

C12H17NO — CID 43732657

IUPACN-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCC(C)CNc1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO/c1-9(2)8-13-11-3-4-12-10(7-11)5-6-14-12/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyNUEXHRZJGYRZQE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.69
Rot. Bonds3

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

N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43732657) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43732657
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCC(C)CNc1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO/c1-9(2)8-13-11-3-4-12-10(7-11)5-6-14-12/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyNUEXHRZJGYRZQE-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.69
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-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
CID 115121170
2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol
CID 115120331
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107445174
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
CID 115201733
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol
CID 115251865
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol
CID 39242231
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine (CID 43732657) is N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine is CC(C)CNc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is NUEXHRZJGYRZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)8-13-11-3-4-12-10(7-11)5-6-14-12/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine?
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 191.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43732657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).