3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol

C14H23FN2O — CID 114068300

IUPAC3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
SMILESCNCc1cccc(F)c1N(CCCO)C(C)C
InChIInChI=1S/C14H23FN2O/c1-11(2)17(8-5-9-18)14-12(10-16-3)6-4-7-13(14)15/h4,6-7,11,16,18H,5,8-10H2,1-3H3
InChIKeyGAEXRKYEUNTERD-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.14
Rot. Bonds7

About 3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol

3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol (PubChem CID 114068300) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol.

Molecular Properties

Compound Name3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
PubChem CID114068300
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
SMILESCNCc1cccc(F)c1N(CCCO)C(C)C
InChIInChI=1S/C14H23FN2O/c1-11(2)17(8-5-9-18)14-12(10-16-3)6-4-7-13(14)15/h4,6-7,11,16,18H,5,8-10H2,1-3H3
InChIKeyGAEXRKYEUNTERD-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-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 114849790
3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 106530897
2-fluoro-6-[3-hydroxypropyl(propan-2-yl)amino]benzenecarbothioamide
CID 79512885
2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol
CID 114068232
N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022576
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627
3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
CID 114059235
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
1-(3-fluoro-2-iodophenyl)-N-methylmethanamine
CID 135394469
2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 163258741
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
2-fluoro-6-[2-hydroxyethyl(propan-2-yl)amino]benzonitrile
CID 79513656

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
The IUPAC name of 3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol (CID 114068300) is 3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol.
What is the SMILES notation for 3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
The canonical SMILES for 3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol is CNCc1cccc(F)c1N(CCCO)C(C)C.
What is the InChIKey of 3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
The InChIKey is GAEXRKYEUNTERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-11(2)17(8-5-9-18)14-12(10-16-3)6-4-7-13(14)15/h4,6-7,11,16,18H,5,8-10H2,1-3H3.
What are the key properties of 3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
3-[2-fluoro-6-(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-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol is sourced from PubChem (CID 114068300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).