3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol

C11H16FNO — CID 115632162

IUPAC3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(F)c(CNCCCO)c1
InChIInChI=1S/C11H16FNO/c1-9-3-4-11(12)10(7-9)8-13-5-2-6-14/h3-4,7,13-14H,2,5-6,8H2,1H3
InChIKeyKOPSFOCAKJGLIL-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.61
Rot. Bonds5

About 3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol

3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol (PubChem CID 115632162) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
PubChem CID115632162
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(F)c(CNCCCO)c1
InChIInChI=1S/C11H16FNO/c1-9-3-4-11(12)10(7-9)8-13-5-2-6-14/h3-4,7,13-14H,2,5-6,8H2,1H3
InChIKeyKOPSFOCAKJGLIL-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]pentan-1-amine
CID 115632172
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997
3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 113237530
3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol
CID 59549336
3-[(4-chloro-2-methylphenyl)methylamino]propan-1-ol
CID 104853816
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
N-[(2-fluoro-5-methylphenyl)methyl]but-2-yn-1-amine
CID 115866443
N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720816
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol?
The IUPAC name of 3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol (CID 115632162) is 3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol is Cc1ccc(F)c(CNCCCO)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol?
The InChIKey is KOPSFOCAKJGLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-9-3-4-11(12)10(7-9)8-13-5-2-6-14/h3-4,7,13-14H,2,5-6,8H2,1H3.
What are the key properties of 3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol?
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 115632162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).