1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one

C18H23NO2 — CID 62035271

IUPAC1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)N(C)Cc2ccoc2C)c1
InChIInChI=1S/C18H23NO2/c1-12-6-7-13(2)17(10-12)18(20)14(3)19(5)11-16-8-9-21-15(16)4/h6-10,14H,11H2,1-5H3
InChIKeyKKJFAGQSTQTZNI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.91
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one

1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one (PubChem CID 62035271) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one
PubChem CID62035271
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)N(C)Cc2ccoc2C)c1
InChIInChI=1S/C18H23NO2/c1-12-6-7-13(2)17(10-12)18(20)14(3)19(5)11-16-8-9-21-15(16)4/h6-10,14H,11H2,1-5H3
InChIKeyKKJFAGQSTQTZNI-UHFFFAOYSA-N
XLogP3.91
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61371044
2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
CID 43794767
2-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681587
1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
CID 61427717
1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63837669
5-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzoic acid
CID 62515703
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 61426435
3-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]butanenitrile
CID 63223033
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one
CID 43795907
N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61426661
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
2-bromo-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426211

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one (CID 62035271) is 1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one is Cc1ccc(C)c(C(=O)C(C)N(C)Cc2ccoc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one?
The InChIKey is KKJFAGQSTQTZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-6-7-13(2)17(10-12)18(20)14(3)19(5)11-16-8-9-21-15(16)4/h6-10,14H,11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one?
1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 62035271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).