N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine

C15H19NO2 — CID 55013130

IUPACN-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccc2oc(CNCC3CCCO3)cc2c1
InChIInChI=1S/C15H19NO2/c1-11-4-5-15-12(7-11)8-14(18-15)10-16-9-13-3-2-6-17-13/h4-5,7-8,13,16H,2-3,6,9-10H2,1H3
InChIKeyKYVDYJVCWHIFNE-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.01
Rot. Bonds4

About N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 55013130) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID55013130
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccc2oc(CNCC3CCCO3)cc2c1
InChIInChI=1S/C15H19NO2/c1-11-4-5-15-12(7-11)8-14(18-15)10-16-9-13-3-2-6-17-13/h4-5,7-8,13,16H,2-3,6,9-10H2,1H3
InChIKeyKYVDYJVCWHIFNE-UHFFFAOYSA-N
XLogP3.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54807972
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine;oxalic acid
CID 17052973
N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42166246
4-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diamine;hydrochloride
CID 22328123
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 55013130) is N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine is Cc1ccc2oc(CNCC3CCCO3)cc2c1.
What is the InChIKey of N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is KYVDYJVCWHIFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-4-5-15-12(7-11)8-14(18-15)10-16-9-13-3-2-6-17-13/h4-5,7-8,13,16H,2-3,6,9-10H2,1H3.
What are the key properties of N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 245.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 55013130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).