1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine

C15H23NO — CID 66363030

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine
SMILESCCC(NC)C(C)CC1Cc2ccccc2O1
InChIInChI=1S/C15H23NO/c1-4-14(16-3)11(2)9-13-10-12-7-5-6-8-15(12)17-13/h5-8,11,13-14,16H,4,9-10H2,1-3H3
InChIKeyFUFYVRDXIQYFGX-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.01
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine (PubChem CID 66363030) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine
PubChem CID66363030
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine
SMILESCCC(NC)C(C)CC1Cc2ccccc2O1
InChIInChI=1S/C15H23NO/c1-4-14(16-3)11(2)9-13-10-12-7-5-6-8-15(12)17-13/h5-8,11,13-14,16H,4,9-10H2,1-3H3
InChIKeyFUFYVRDXIQYFGX-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine
CID 66365394
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-3-amine
CID 66365123
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine (CID 66363030) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine is CCC(NC)C(C)CC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine?
The InChIKey is FUFYVRDXIQYFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14(16-3)11(2)9-13-10-12-7-5-6-8-15(12)17-13/h5-8,11,13-14,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine has a molecular weight of 233.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine is sourced from PubChem (CID 66363030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).