3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol

C13H20FNO — CID 62264784

IUPAC3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
SMILESCN(Cc1ccccc1F)CC(C)(C)CO
InChIInChI=1S/C13H20FNO/c1-13(2,10-16)9-15(3)8-11-6-4-5-7-12(11)14/h4-7,16H,8-10H2,1-3H3
InChIKeyXJWPINIKOJAFPH-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.28
Rot. Bonds5

About 3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol

3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 62264784) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
PubChem CID62264784
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
SMILESCN(Cc1ccccc1F)CC(C)(C)CO
InChIInChI=1S/C13H20FNO/c1-13(2,10-16)9-15(3)8-11-6-4-5-7-12(11)14/h4-7,16H,8-10H2,1-3H3
InChIKeyXJWPINIKOJAFPH-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol
CID 62264951
2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine
CID 79811279
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol
CID 110932461
2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol
CID 84590802
N'-[(2-chloro-3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 112652851
2-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005275

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol (CID 62264784) is 3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol is CN(Cc1ccccc1F)CC(C)(C)CO.
What is the InChIKey of 3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is XJWPINIKOJAFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,10-16)9-15(3)8-11-6-4-5-7-12(11)14/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 62264784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).