1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one

C17H26ClNO2 — CID 82051260

IUPAC1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one
SMILESCCN(CC)CCC(=O)c1cc(Cl)ccc1OCC(C)C
InChIInChI=1S/C17H26ClNO2/c1-5-19(6-2)10-9-16(20)15-11-14(18)7-8-17(15)21-12-13(3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3
InChIKeyNGTSNNNVUQEFCC-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.29
Rot. Bonds9

About 1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one

1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one (PubChem CID 82051260) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one.

Molecular Properties

Compound Name1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one
PubChem CID82051260
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one
SMILESCCN(CC)CCC(=O)c1cc(Cl)ccc1OCC(C)C
InChIInChI=1S/C17H26ClNO2/c1-5-19(6-2)10-9-16(20)15-11-14(18)7-8-17(15)21-12-13(3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3
InChIKeyNGTSNNNVUQEFCC-UHFFFAOYSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(2-methylpropoxy)phenyl]-2-propylsulfanylethanone
CID 82051274
[4-[5-chloro-2-(2-methylpropoxy)benzoyl]piperazin-1-yl]-[5-chloro-2-(2-methylpropoxy)phenyl]methanone
CID 51059993
1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296
5-chloro-2-(2-methylpropoxy)phenol
CID 59319916
5-chloro-2-(2,4-dimethylpentoxy)benzoic acid
CID 114200018
4-[5-bromo-2-(2-methylpropoxy)phenyl]-4-oxobutanoic acid
CID 82051290
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
CID 62631217
1-(5-chloro-2-methoxyphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94271591
(1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol
CID 63364400
1-[1-[5-chloro-2-(2-methylpropoxy)phenyl]-2-ethylbut-1-enyl]-1,2,4-triazole
CID 3007540

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one?
The IUPAC name of 1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one (CID 82051260) is 1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one.
What is the SMILES notation for 1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one?
The canonical SMILES for 1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one is CCN(CC)CCC(=O)c1cc(Cl)ccc1OCC(C)C.
What is the InChIKey of 1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one?
The InChIKey is NGTSNNNVUQEFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-5-19(6-2)10-9-16(20)15-11-14(18)7-8-17(15)21-12-13(3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one?
1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one has a molecular weight of 311.85 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one is sourced from PubChem (CID 82051260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).