1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol

C12H19FN2O — CID 115121707

IUPAC1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
SMILESCN(CCc1ccc(F)cc1)CC(O)CN
InChIInChI=1S/C12H19FN2O/c1-15(9-12(16)8-14)7-6-10-2-4-11(13)5-3-10/h2-5,12,16H,6-9,14H2,1H3
InChIKeySDPQLOJQEOTBKB-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.62
Rot. Bonds6

About 1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol

1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol (PubChem CID 115121707) has the molecular formula C12H19FN2O and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
PubChem CID115121707
Molecular FormulaC12H19FN2O
Molecular Weight226.30 g/mol
Exact Mass226.15
IUPAC Name1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
SMILESCN(CCc1ccc(F)cc1)CC(O)CN
InChIInChI=1S/C12H19FN2O/c1-15(9-12(16)8-14)7-6-10-2-4-11(13)5-3-10/h2-5,12,16H,6-9,14H2,1H3
InChIKeySDPQLOJQEOTBKB-UHFFFAOYSA-N
XLogP0.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110903446
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol
CID 117039279
N'-[2-(4-fluorophenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 94259582
1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
2-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254681
1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol
CID 115121461
1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561328
1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136234
4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
CID 117039305

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol (CID 115121707) is 1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol is CN(CCc1ccc(F)cc1)CC(O)CN.
What is the InChIKey of 1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol?
The InChIKey is SDPQLOJQEOTBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-15(9-12(16)8-14)7-6-10-2-4-11(13)5-3-10/h2-5,12,16H,6-9,14H2,1H3.
What are the key properties of 1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol?
1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol has a molecular weight of 226.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol is sourced from PubChem (CID 115121707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).