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

C13H19NO — CID 63018997

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc2c(c1)COC2)C(C)C
InChIInChI=1S/C13H19NO/c1-9(2)13(14-3)10-4-5-11-7-15-8-12(11)6-10/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyWQRPWJZODGDYAO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.63
Rot. Bonds3

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

1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine (PubChem CID 63018997) 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)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
PubChem CID63018997
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc2c(c1)COC2)C(C)C
InChIInChI=1S/C13H19NO/c1-9(2)13(14-3)10-4-5-11-7-15-8-12(11)6-10/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyWQRPWJZODGDYAO-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 63019877
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbut-2-en-1-amine
CID 105004605
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63186146
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydro-2-benzofuran
CID 63019930
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153328
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 63020408
1-(3-chloro-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 82875403
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine (CID 63018997) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine is CNC(c1ccc2c(c1)COC2)C(C)C.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is WQRPWJZODGDYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)13(14-3)10-4-5-11-7-15-8-12(11)6-10/h4-6,9,13-14H,7-8H2,1-3H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.63, 3 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)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 63018997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).