1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one

C16H25NO2 — CID 112677386

IUPAC1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(CCOC)C(C)CC
InChIInChI=1S/C16H25NO2/c1-5-13(3)17(11-12-19-4)15-10-8-7-9-14(15)16(18)6-2/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyBPCHEHBANBZXAR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.53
Rot. Bonds8

About 1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one

1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one (PubChem CID 112677386) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
PubChem CID112677386
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(CCOC)C(C)CC
InChIInChI=1S/C16H25NO2/c1-5-13(3)17(11-12-19-4)15-10-8-7-9-14(15)16(18)6-2/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyBPCHEHBANBZXAR-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one
CID 115994582
1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677336
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone
CID 55000062
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 55005297
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 55000117
2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 112678052
1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one
CID 112677377
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
(1R)-1-[3-bromo-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanol
CID 63372750

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one?
The IUPAC name of 1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one (CID 112677386) is 1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one is CCC(=O)c1ccccc1N(CCOC)C(C)CC.
What is the InChIKey of 1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one?
The InChIKey is BPCHEHBANBZXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-13(3)17(11-12-19-4)15-10-8-7-9-14(15)16(18)6-2/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one?
1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one is sourced from PubChem (CID 112677386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).