2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol

C13H21FN2O — CID 115121053

IUPAC2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol
SMILESCC(C)(CNCC(N)CO)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-13(2,9-16-7-10(15)8-17)11-5-3-4-6-12(11)14/h3-6,10,16-17H,7-9,15H2,1-2H3
InChIKeyGVDQUUMCNPBMPX-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.01
Rot. Bonds6

About 2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol

2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol (PubChem CID 115121053) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol
PubChem CID115121053
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol
SMILESCC(C)(CNCC(N)CO)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-13(2,9-16-7-10(15)8-17)11-5-3-4-6-12(11)14/h3-6,10,16-17H,7-9,15H2,1-2H3
InChIKeyGVDQUUMCNPBMPX-UHFFFAOYSA-N
XLogP1.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol
CID 115216581
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121019
N-ethyl-2-(2-fluorophenyl)-2-methylpropan-1-amine
CID 62596416
2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutanenitrile
CID 115254735
2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile
CID 115254196
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid
CID 115218193
3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
CID 115122512
3-N-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120210
2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
CID 115138404
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122528

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol?
The IUPAC name of 2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol (CID 115121053) is 2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol is CC(C)(CNCC(N)CO)c1ccccc1F.
What is the InChIKey of 2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol?
The InChIKey is GVDQUUMCNPBMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-13(2,9-16-7-10(15)8-17)11-5-3-4-6-12(11)14/h3-6,10,16-17H,7-9,15H2,1-2H3.
What are the key properties of 2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol?
2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol is sourced from PubChem (CID 115121053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).