1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine

C15H23NO — CID 79229480

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCC1COc2ccccc21
InChIInChI=1S/C15H23NO/c1-15(2,3)14(16)9-8-11-10-17-13-7-5-4-6-12(11)13/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyDKJVDJAPVMHZPF-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.32
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine

1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine (PubChem CID 79229480) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
PubChem CID79229480
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCC1COc2ccccc21
InChIInChI=1S/C15H23NO/c1-15(2,3)14(16)9-8-11-10-17-13-7-5-4-6-12(11)13/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyDKJVDJAPVMHZPF-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloropentyl)-2,3-dihydro-1-benzofuran
CID 79229342
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine
CID 79229690
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine
CID 81020255
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate
CID 15732877
1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine
CID 79229949
1-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 79230396
3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
CID 79229340
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 83138647

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine (CID 79229480) is 1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine is CC(C)(C)C(N)CCC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine?
The InChIKey is DKJVDJAPVMHZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)14(16)9-8-11-10-17-13-7-5-4-6-12(11)13/h4-7,11,14H,8-10,16H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine?
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine has a molecular weight of 233.36 g/mol, XLogP of 3.32, 3 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-3-yl)-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 79229480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).