3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine

C12H17NO — CID 66363440

IUPAC3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)CC1Cc2ccccc2O1
InChIInChI=1S/C12H17NO/c1-9(8-13)6-11-7-10-4-2-3-5-12(10)14-11/h2-5,9,11H,6-8,13H2,1H3
InChIKeyZFJKEPPYOLTQKI-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.98
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 66363440) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
PubChem CID66363440
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)CC1Cc2ccccc2O1
InChIInChI=1S/C12H17NO/c1-9(8-13)6-11-7-10-4-2-3-5-12(10)14-11/h2-5,9,11H,6-8,13H2,1H3
InChIKeyZFJKEPPYOLTQKI-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine
CID 66365394
2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
CID 79441587
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
CID 102067628

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine (CID 66363440) is 3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine is CC(CN)CC1Cc2ccccc2O1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is ZFJKEPPYOLTQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(8-13)6-11-7-10-4-2-3-5-12(10)14-11/h2-5,9,11H,6-8,13H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 66363440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).