2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone

C15H17NO2 — CID 62036219

IUPAC2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone
SMILESCc1occc1CN(C)CC(=O)c1ccccc1
InChIInChI=1S/C15H17NO2/c1-12-14(8-9-18-12)10-16(2)11-15(17)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
InChIKeyJOCLLAUVQNRVAB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.90
Rot. Bonds5

About 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone (PubChem CID 62036219) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone.

Molecular Properties

Compound Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone
PubChem CID62036219
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone
SMILESCc1occc1CN(C)CC(=O)c1ccccc1
InChIInChI=1S/C15H17NO2/c1-12-14(8-9-18-12)10-16(2)11-15(17)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
InChIKeyJOCLLAUVQNRVAB-UHFFFAOYSA-N
XLogP2.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone
CID 62037588
1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanone
CID 62035275
3-methyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]but-2-enoic acid
CID 77006372
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
CID 61371435
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide
CID 63177301
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
CID 61426935
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1-phenylethanone
CID 14590944
4-fluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzoic acid
CID 107907810
(2R)-2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenylacetamide
CID 61426697

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone?
The IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone (CID 62036219) is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone.
What is the SMILES notation for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone?
The canonical SMILES for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone is Cc1occc1CN(C)CC(=O)c1ccccc1.
What is the InChIKey of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone?
The InChIKey is JOCLLAUVQNRVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12-14(8-9-18-12)10-16(2)11-15(17)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone?
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone has a molecular weight of 243.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone is sourced from PubChem (CID 62036219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).