3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol

C12H19FN2O — CID 64899213

IUPAC3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
SMILESCN(Cc1ccccc1F)CC(N)CCO
InChIInChI=1S/C12H19FN2O/c1-15(9-11(14)6-7-16)8-10-4-2-3-5-12(10)13/h2-5,11,16H,6-9,14H2,1H3
InChIKeyPOHDHIDDADVOEG-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.97
Rot. Bonds6

About 3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol

3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol (PubChem CID 64899213) has the molecular formula C12H19FN2O and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol.

Molecular Properties

Compound Name3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
PubChem CID64899213
Molecular FormulaC12H19FN2O
Molecular Weight226.30 g/mol
Exact Mass226.15
IUPAC Name3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
SMILESCN(Cc1ccccc1F)CC(N)CCO
InChIInChI=1S/C12H19FN2O/c1-15(9-11(14)6-7-16)8-10-4-2-3-5-12(10)13/h2-5,11,16H,6-9,14H2,1H3
InChIKeyPOHDHIDDADVOEG-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519950
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
1-chloro-3-[(2-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561326
N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine
CID 66224055
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 43575716
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115120751
1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098522
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol?
The IUPAC name of 3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol (CID 64899213) is 3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol.
What is the SMILES notation for 3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol?
The canonical SMILES for 3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol is CN(Cc1ccccc1F)CC(N)CCO.
What is the InChIKey of 3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol?
The InChIKey is POHDHIDDADVOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-15(9-11(14)6-7-16)8-10-4-2-3-5-12(10)13/h2-5,11,16H,6-9,14H2,1H3.
What are the key properties of 3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol?
3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol has a molecular weight of 226.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol is sourced from PubChem (CID 64899213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).