1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride

C16H25ClFNO2 — CID 23616853

IUPAC1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride
SMILESCCCN(CCC)C(CC)OC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C16H24FNO2.ClH/c1-4-11-18(12-5-2)15(6-3)20-16(19)13-7-9-14(17)10-8-13;/h7-10,15H,4-6,11-12H2,1-3H3;1H
InChIKeyDZHNTTCGXBXSGZ-UHFFFAOYSA-N
MW317.83 g/mol
LogP4.26
Rot. Bonds8

About 1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride

1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride (PubChem CID 23616853) has the molecular formula C16H25ClFNO2 and a molecular weight of 317.83 g/mol. Its IUPAC name is 1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride.

Molecular Properties

Compound Name1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride
PubChem CID23616853
Molecular FormulaC16H25ClFNO2
Molecular Weight317.83 g/mol
Exact Mass317.16
IUPAC Name1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride
SMILESCCCN(CCC)C(CC)OC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C16H24FNO2.ClH/c1-4-11-18(12-5-2)15(6-3)20-16(19)13-7-9-14(17)10-8-13;/h7-10,15H,4-6,11-12H2,1-3H3;1H
InChIKeyDZHNTTCGXBXSGZ-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hex-4-yn-3-yl 4-fluorobenzoate
CID 530958
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide
CID 62030734
2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 43795952
1-piperazin-1-ylpropyl 4-fluorobenzoate;hydrochloride
CID 70607855
3-(dibutylamino)propyl 4-fluorobenzoate;hydrochloride
CID 9951
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
1-(butylamino)propan-2-yl 4-fluorobenzoate
CID 82532294
propan-2-yl 4-(dipropylamino)benzoate
CID 139770172
2-ethylhexyl 4-fluorobenzoate
CID 579252
1-(3,4-difluorophenyl)-2-[ethyl(propyl)amino]propan-1-one
CID 43795368
1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one
CID 116923852

Frequently Asked Questions

What is the IUPAC name of 1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride?
The IUPAC name of 1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride (CID 23616853) is 1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride.
What is the SMILES notation for 1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride?
The canonical SMILES for 1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride is CCCN(CCC)C(CC)OC(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride?
The InChIKey is DZHNTTCGXBXSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2.ClH/c1-4-11-18(12-5-2)15(6-3)20-16(19)13-7-9-14(17)10-8-13;/h7-10,15H,4-6,11-12H2,1-3H3;1H.
What are the key properties of 1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride?
1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride has a molecular weight of 317.83 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride is sourced from PubChem (CID 23616853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).