2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol

C11H16FNO — CID 62135072

IUPAC2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
SMILESCc1cc(F)ccc1CNC(C)CO
InChIInChI=1S/C11H16FNO/c1-8-5-11(12)4-3-10(8)6-13-9(2)7-14/h3-5,9,13-14H,6-7H2,1-2H3
InChIKeyCLIUGNXWJUUZIJ-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.60
Rot. Bonds4

About 2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol

2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol (PubChem CID 62135072) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
PubChem CID62135072
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
SMILESCc1cc(F)ccc1CNC(C)CO
InChIInChI=1S/C11H16FNO/c1-8-5-11(12)4-3-10(8)6-13-9(2)7-14/h3-5,9,13-14H,6-7H2,1-2H3
InChIKeyCLIUGNXWJUUZIJ-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63012959
4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzonitrile
CID 114479854
1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
CID 113407488
4-bromo-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-2-amine
CID 114349186
2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
CID 103698714
N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65048786
N'-hydroxy-4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzenecarboximidamide
CID 114482743
1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol (CID 62135072) is 2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol is Cc1cc(F)ccc1CNC(C)CO.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol?
The InChIKey is CLIUGNXWJUUZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-5-11(12)4-3-10(8)6-13-9(2)7-14/h3-5,9,13-14H,6-7H2,1-2H3.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol?
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 62135072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).