3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol

C14H23FN2O — CID 106530897

IUPAC3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
SMILESCNCc1cc(F)cc(N(CCCO)C(C)C)c1
InChIInChI=1S/C14H23FN2O/c1-11(2)17(5-4-6-18)14-8-12(10-16-3)7-13(15)9-14/h7-9,11,16,18H,4-6,10H2,1-3H3
InChIKeyPPPOMTROKWEAPT-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.14
Rot. Bonds7

About 3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol

3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol (PubChem CID 106530897) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
PubChem CID106530897
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
SMILESCNCc1cc(F)cc(N(CCCO)C(C)C)c1
InChIInChI=1S/C14H23FN2O/c1-11(2)17(5-4-6-18)14-8-12(10-16-3)7-13(15)9-14/h7-9,11,16,18H,4-6,10H2,1-3H3
InChIKeyPPPOMTROKWEAPT-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532666
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
3-fluoro-5-[2-hydroxyethyl(propan-2-yl)amino]benzonitrile
CID 102815857
3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532663
3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 114068300
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 106532725
3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 114849790
N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 106530752
3-[N-propan-2-yl-4-(propylaminomethyl)anilino]propan-1-ol
CID 54994250
[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol
CID 106529699

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
The IUPAC name of 3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol (CID 106530897) is 3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol.
What is the SMILES notation for 3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
The canonical SMILES for 3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol is CNCc1cc(F)cc(N(CCCO)C(C)C)c1.
What is the InChIKey of 3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
The InChIKey is PPPOMTROKWEAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-11(2)17(5-4-6-18)14-8-12(10-16-3)7-13(15)9-14/h7-9,11,16,18H,4-6,10H2,1-3H3.
What are the key properties of 3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol is sourced from PubChem (CID 106530897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).