3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one

C16H22FNO — CID 62618352

IUPAC3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
SMILESCCCN(CCC(=O)c1cccc(F)c1)CC1CC1
InChIInChI=1S/C16H22FNO/c1-2-9-18(12-13-6-7-13)10-8-16(19)14-4-3-5-15(17)11-14/h3-5,11,13H,2,6-10,12H2,1H3
InChIKeyHQHMICMEGNTFOC-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.52
Rot. Bonds8

About 3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one

3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one (PubChem CID 62618352) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
PubChem CID62618352
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
SMILESCCCN(CCC(=O)c1cccc(F)c1)CC1CC1
InChIInChI=1S/C16H22FNO/c1-2-9-18(12-13-6-7-13)10-8-16(19)14-4-3-5-15(17)11-14/h3-5,11,13H,2,6-10,12H2,1H3
InChIKeyHQHMICMEGNTFOC-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417
1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone
CID 60679704
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 60679763
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
1-(3-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010701
N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine
CID 62643649
3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one
CID 62630543
1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one
CID 62618349
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62619727
N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
CID 86976376
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62643544

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one (CID 62618352) is 3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one is CCCN(CCC(=O)c1cccc(F)c1)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one?
The InChIKey is HQHMICMEGNTFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-9-18(12-13-6-7-13)10-8-16(19)14-4-3-5-15(17)11-14/h3-5,11,13H,2,6-10,12H2,1H3.
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one?
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 62618352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).