3-[3-fluoropropyl(methyl)amino]propan-1-ol

C7H16FNO — CID 126974826

IUPAC3-[3-fluoropropyl(methyl)amino]propan-1-ol
SMILESCN(CCCO)CCCF
InChIInChI=1S/C7H16FNO/c1-9(5-2-4-8)6-3-7-10/h10H,2-7H2,1H3
InChIKeyMCVVPVSIRFBUML-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.66
Rot. Bonds6

About 3-[3-fluoropropyl(methyl)amino]propan-1-ol

3-[3-fluoropropyl(methyl)amino]propan-1-ol (PubChem CID 126974826) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 3-[3-fluoropropyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-fluoropropyl(methyl)amino]propan-1-ol
PubChem CID126974826
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name3-[3-fluoropropyl(methyl)amino]propan-1-ol
SMILESCN(CCCO)CCCF
InChIInChI=1S/C7H16FNO/c1-9(5-2-4-8)6-3-7-10/h10H,2-7H2,1H3
InChIKeyMCVVPVSIRFBUML-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
3-[aminomethyl(methyl)amino]propan-1-ol
CID 169233831
N'-(3-fluoropropyl)-N'-methylethane-1,2-diamine
CID 81106784
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
2-[3-fluoropropyl(methyl)amino]ethanethiol
CID 58986379
ethane;3-fluoro-N-methyl-N-propylpropan-1-amine
CID 142123052
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
CID 142351395
3-[3-(diethylamino)propyl-methylamino]propan-1-ol
CID 12721796
3-[ethyl(methyl)amino]propan-1-ol;4-fluorobutan-1-amine;4-fluorobutan-1-ol;2-fluoroethanamine;2-fluoroethanol;N'-(fluoromethyl)-N'-methylpropane-1,3-diamine;3-fluoropropan-1-amine;3-fluoropropan-1-ol
CID 159449139
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoropropyl(methyl)amino]propan-1-ol?
The IUPAC name of 3-[3-fluoropropyl(methyl)amino]propan-1-ol (CID 126974826) is 3-[3-fluoropropyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 3-[3-fluoropropyl(methyl)amino]propan-1-ol?
The canonical SMILES for 3-[3-fluoropropyl(methyl)amino]propan-1-ol is CN(CCCO)CCCF.
What is the InChIKey of 3-[3-fluoropropyl(methyl)amino]propan-1-ol?
The InChIKey is MCVVPVSIRFBUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-9(5-2-4-8)6-3-7-10/h10H,2-7H2,1H3.
What are the key properties of 3-[3-fluoropropyl(methyl)amino]propan-1-ol?
3-[3-fluoropropyl(methyl)amino]propan-1-ol has a molecular weight of 149.21 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoropropyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 126974826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).