2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one

C16H23NO2 — CID 61432396

IUPAC2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N(C)CC1CCCO1
InChIInChI=1S/C16H23NO2/c1-3-15(16(18)13-8-5-4-6-9-13)17(2)12-14-10-7-11-19-14/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyLOGQNDQPAVJRJR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.76
Rot. Bonds6

About 2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one

2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one (PubChem CID 61432396) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
PubChem CID61432396
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N(C)CC1CCCO1
InChIInChI=1S/C16H23NO2/c1-3-15(16(18)13-8-5-4-6-9-13)17(2)12-14-10-7-11-19-14/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyLOGQNDQPAVJRJR-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62613157
3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 63073130
2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid
CID 65162256
N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 76915828
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
2-amino-N-methyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61436409
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
CID 61431053
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349
2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
CID 65156846
2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one
CID 63566462
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one?
The IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one (CID 61432396) is 2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one is CCC(C(=O)c1ccccc1)N(C)CC1CCCO1.
What is the InChIKey of 2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one?
The InChIKey is LOGQNDQPAVJRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-15(16(18)13-8-5-4-6-9-13)17(2)12-14-10-7-11-19-14/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3.
What are the key properties of 2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one?
2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 61432396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).