4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one

C15H23NO2 — CID 115235805

IUPAC4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one
SMILESCC(=O)CCN(C)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)18-15-7-5-14(6-8-15)11-16(4)10-9-13(3)17/h5-8,12H,9-11H2,1-4H3
InChIKeyVDPYBDLKKLAYQJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.88
Rot. Bonds7

About 4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one

4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one (PubChem CID 115235805) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one
PubChem CID115235805
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one
SMILESCC(=O)CCN(C)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)18-15-7-5-14(6-8-15)11-16(4)10-9-13(3)17/h5-8,12H,9-11H2,1-4H3
InChIKeyVDPYBDLKKLAYQJ-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115263189
N-(bromomethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115262054
3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine
CID 115119849
N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
CID 115259585
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 43085576
5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol
CID 115133454
2-amino-N-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115152562
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one?
The IUPAC name of 4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one (CID 115235805) is 4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one.
What is the SMILES notation for 4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one?
The canonical SMILES for 4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one is CC(=O)CCN(C)Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one?
The InChIKey is VDPYBDLKKLAYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)18-15-7-5-14(6-8-15)11-16(4)10-9-13(3)17/h5-8,12H,9-11H2,1-4H3.
What are the key properties of 4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one?
4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one is sourced from PubChem (CID 115235805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).