N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine

C14H19NO2 — CID 113482006

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine
SMILESCC1(NCC2Cc3ccccc3O2)CCOC1
InChIInChI=1S/C14H19NO2/c1-14(6-7-16-10-14)15-9-12-8-11-4-2-3-5-13(11)17-12/h2-5,12,15H,6-10H2,1H3
InChIKeyMZVMJJOUGUZKQR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.76
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine (PubChem CID 113482006) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine
PubChem CID113482006
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine
SMILESCC1(NCC2Cc3ccccc3O2)CCOC1
InChIInChI=1S/C14H19NO2/c1-14(6-7-16-10-14)15-9-12-8-11-4-2-3-5-13(11)17-12/h2-5,12,15H,6-10H2,1H3
InChIKeyMZVMJJOUGUZKQR-UHFFFAOYSA-N
XLogP1.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol
CID 103766545
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104585916
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 114113651
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide
CID 62232839
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365211
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82722611

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine (CID 113482006) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine is CC1(NCC2Cc3ccccc3O2)CCOC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine?
The InChIKey is MZVMJJOUGUZKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(6-7-16-10-14)15-9-12-8-11-4-2-3-5-13(11)17-12/h2-5,12,15H,6-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine has a molecular weight of 233.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine is sourced from PubChem (CID 113482006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).