1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one

C17H21NO2 — CID 62052574

IUPAC1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)Cc2ccco2)cc1C
InChIInChI=1S/C17H21NO2/c1-12-7-8-15(10-13(12)2)17(19)14(3)18(4)11-16-6-5-9-20-16/h5-10,14H,11H2,1-4H3
InChIKeyAQUKJZJTJGXBLD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.60
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one

1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one (PubChem CID 62052574) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
PubChem CID62052574
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)Cc2ccco2)cc1C
InChIInChI=1S/C17H21NO2/c1-12-7-8-15(10-13(12)2)17(19)14(3)18(4)11-16-6-5-9-20-16/h5-10,14H,11H2,1-4H3
InChIKeyAQUKJZJTJGXBLD-UHFFFAOYSA-N
XLogP3.60
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794892
1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052958
1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one
CID 79390731
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(3,4-dimethylphenyl)propan-1-one
CID 63566664
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526601
4-chloro-N-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)benzamide
CID 35345535
N-(furan-2-ylmethyl)-N,4-dimethyl-3-pyrrol-1-ylbenzamide
CID 18135649
(2S)-2-(2,6-dimethoxyphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetic acid
CID 97202360
1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one
CID 62036820
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
2-[furan-2-ylmethyl(methyl)amino]butanoic acid
CID 43809005
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one (CID 62052574) is 1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one is Cc1ccc(C(=O)C(C)N(C)Cc2ccco2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one?
The InChIKey is AQUKJZJTJGXBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-7-8-15(10-13(12)2)17(19)14(3)18(4)11-16-6-5-9-20-16/h5-10,14H,11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one?
1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one has a molecular weight of 271.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 62052574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).