1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol

C14H22FNO — CID 105375922

IUPAC1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FNO/c1-4-7-16-10-14(3,17)9-12-8-13(15)6-5-11(12)2/h5-6,8,16-17H,4,7,9-10H2,1-3H3
InChIKeyWCKVWNYJZPTXFQ-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.43
Rot. Bonds6

About 1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol

1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol (PubChem CID 105375922) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
PubChem CID105375922
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FNO/c1-4-7-16-10-14(3,17)9-12-8-13(15)6-5-11(12)2/h5-6,8,16-17H,4,7,9-10H2,1-3H3
InChIKeyWCKVWNYJZPTXFQ-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.43
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

1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
3-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,2-diol
CID 105371162
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039856
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
CID 105374927
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
CID 83698852
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
1-(2-chloro-4-fluorophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335048
1-(2-chloro-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037305

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol (CID 105375922) is 1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol is CCCNCC(C)(O)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol?
The InChIKey is WCKVWNYJZPTXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-7-16-10-14(3,17)9-12-8-13(15)6-5-11(12)2/h5-6,8,16-17H,4,7,9-10H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol?
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol has a molecular weight of 239.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 105375922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).