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

C11H16FNO — CID 60674294

IUPAC3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
SMILESCN(CCCO)Cc1ccccc1F
InChIInChI=1S/C11H16FNO/c1-13(7-4-8-14)9-10-5-2-3-6-11(10)12/h2-3,5-6,14H,4,7-9H2,1H3
InChIKeyNMVCKLWLJLJSGJ-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.64
Rot. Bonds5

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

3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol (PubChem CID 60674294) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
PubChem CID60674294
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
SMILESCN(CCCO)Cc1ccccc1F
InChIInChI=1S/C11H16FNO/c1-13(7-4-8-14)9-10-5-2-3-6-11(10)12/h2-3,5-6,14H,4,7-9H2,1H3
InChIKeyNMVCKLWLJLJSGJ-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112508
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
CID 65254792
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide
CID 65259633
4-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butan-1-ol
CID 110931579
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol (CID 60674294) is 3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol is CN(CCCO)Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol?
The InChIKey is NMVCKLWLJLJSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-13(7-4-8-14)9-10-5-2-3-6-11(10)12/h2-3,5-6,14H,4,7-9H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol?
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.64, 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]propan-1-ol is sourced from PubChem (CID 60674294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).