3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one

C15H21NO2 — CID 116559237

IUPAC3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one
SMILESCCCOc1ccccc1C(=O)CCNC1CC1
InChIInChI=1S/C15H21NO2/c1-2-11-18-15-6-4-3-5-13(15)14(17)9-10-16-12-7-8-12/h3-6,12,16H,2,7-11H2,1H3
InChIKeyPJHPIWPRKHPWMB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.80
Rot. Bonds8

About 3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one

3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one (PubChem CID 116559237) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one
PubChem CID116559237
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one
SMILESCCCOc1ccccc1C(=O)CCNC1CC1
InChIInChI=1S/C15H21NO2/c1-2-11-18-15-6-4-3-5-13(15)14(17)9-10-16-12-7-8-12/h3-6,12,16H,2,7-11H2,1H3
InChIKeyPJHPIWPRKHPWMB-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone
CID 116558980
3-(cyclopropylamino)-N-(2-propoxyphenyl)propanamide
CID 54925076
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
2-propoxy-N-propylbenzamide
CID 58831728
phenyl-(2-propoxyphenyl)methanone
CID 15556308
N-[(E)-4-(2-propoxyphenyl)but-3-enyl]cyclopropanamine
CID 104663313
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
N-[3-(2-propoxyphenyl)butyl]cyclopropanamine
CID 113438607

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one (CID 116559237) is 3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one is CCCOc1ccccc1C(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one?
The InChIKey is PJHPIWPRKHPWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-11-18-15-6-4-3-5-13(15)14(17)9-10-16-12-7-8-12/h3-6,12,16H,2,7-11H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one?
3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one is sourced from PubChem (CID 116559237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).