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

C18H22FNO — CID 62264951

IUPAC3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol
SMILESCN(Cc1ccccc1F)CC(C)(CO)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-18(14-21,16-9-4-3-5-10-16)13-20(2)12-15-8-6-7-11-17(15)19/h3-11,21H,12-14H2,1-2H3
InChIKeyPSZBRIFVRUKQNL-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.21
Rot. Bonds6

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

3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol (PubChem CID 62264951) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol
PubChem CID62264951
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol
SMILESCN(Cc1ccccc1F)CC(C)(CO)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-18(14-21,16-9-4-3-5-10-16)13-20(2)12-15-8-6-7-11-17(15)19/h3-11,21H,12-14H2,1-2H3
InChIKeyPSZBRIFVRUKQNL-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
2-methyl-3-[methyl(2-phenylethyl)amino]-2-phenylpropan-1-ol
CID 65485963
1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine
CID 79811279
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
CID 65254792
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
1-chloro-3-[(2-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561326
2-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005275
1-(2-fluorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258763

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol?
The IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol (CID 62264951) is 3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol is CN(Cc1ccccc1F)CC(C)(CO)c1ccccc1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol?
The InChIKey is PSZBRIFVRUKQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-18(14-21,16-9-4-3-5-10-16)13-20(2)12-15-8-6-7-11-17(15)19/h3-11,21H,12-14H2,1-2H3.
What are the key properties of 3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol?
3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 3.21, 6 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-methyl-2-phenylpropan-1-ol is sourced from PubChem (CID 62264951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).