1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine

C13H19NO — CID 63019877

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc2c(c1)COC2
InChIInChI=1S/C13H19NO/c1-13(2,3)12(14)9-4-5-10-7-15-8-11(10)6-9/h4-6,12H,7-8,14H2,1-3H3
InChIKeyPGAKQDDVXHWDTJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.76
Rot. Bonds1

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine (PubChem CID 63019877) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
PubChem CID63019877
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc2c(c1)COC2
InChIInChI=1S/C13H19NO/c1-13(2,3)12(14)9-4-5-10-7-15-8-11(10)6-9/h4-6,12H,7-8,14H2,1-3H3
InChIKeyPGAKQDDVXHWDTJ-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydro-2-benzofuran
CID 63019930
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
4-amino-4-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylbutanoic acid
CID 65297326
1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine
CID 105000909
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine
CID 105004766
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid
CID 63019902
1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
CID 63020921
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine (CID 63019877) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is PGAKQDDVXHWDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)12(14)9-4-5-10-7-15-8-11(10)6-9/h4-6,12H,7-8,14H2,1-3H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 63019877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).