2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one

C16H25NO2 — CID 82100873

IUPAC2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)CNC(C)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)10-17-13(5)16(18)14-6-8-15(9-7-14)19-12(3)4/h6-9,11-13,17H,10H2,1-5H3
InChIKeyPEPVOLGYOXAZAV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.29
Rot. Bonds7

About 2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one

2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 82100873) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
PubChem CID82100873
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)CNC(C)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)10-17-13(5)16(18)14-6-8-15(9-7-14)19-12(3)4/h6-9,11-13,17H,10H2,1-5H3
InChIKeyPEPVOLGYOXAZAV-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2-(2-methylpropylamino)propan-1-one
CID 82100788
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100899
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100877
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 61002775
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
fluoro 4-propan-2-yloxybenzoate
CID 174701102
4-(4-methoxyphenyl)-3-(2-methylpropylamino)-4-oxobutanoic acid
CID 82322512

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one (CID 82100873) is 2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one is CC(C)CNC(C)C(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is PEPVOLGYOXAZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)10-17-13(5)16(18)14-6-8-15(9-7-14)19-12(3)4/h6-9,11-13,17H,10H2,1-5H3.
What are the key properties of 2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 82100873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).