1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol

C14H23FN2O2 — CID 107259384

IUPAC1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol
SMILESCOc1cc(NCC(C)(O)CC(C)C)c(F)cc1N
InChIInChI=1S/C14H23FN2O2/c1-9(2)7-14(3,18)8-17-12-6-13(19-4)11(16)5-10(12)15/h5-6,9,17-18H,7-8,16H2,1-4H3
InChIKeyVOGRHJWEVRGWMZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.63
Rot. Bonds6

About 1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol

1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol (PubChem CID 107259384) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol
PubChem CID107259384
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol
SMILESCOc1cc(NCC(C)(O)CC(C)C)c(F)cc1N
InChIInChI=1S/C14H23FN2O2/c1-9(2)7-14(3,18)8-17-12-6-13(19-4)11(16)5-10(12)15/h5-6,9,17-18H,7-8,16H2,1-4H3
InChIKeyVOGRHJWEVRGWMZ-UHFFFAOYSA-N
XLogP2.63
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
CID 106290037
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzonitrile
CID 66180391
2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide
CID 107259478
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 107258627
3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66180002
1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625
1-(6-amino-2,3-difluoroanilino)-2,4-dimethylpentan-2-ol
CID 66180718
2-fluoro-1-N-[(4-fluorophenyl)methyl]-5-methoxybenzene-1,4-diamine
CID 107258646
4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120262

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol (CID 107259384) is 1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol is COc1cc(NCC(C)(O)CC(C)C)c(F)cc1N.
What is the InChIKey of 1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol?
The InChIKey is VOGRHJWEVRGWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-9(2)7-14(3,18)8-17-12-6-13(19-4)11(16)5-10(12)15/h5-6,9,17-18H,7-8,16H2,1-4H3.
What are the key properties of 1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol?
1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol has a molecular weight of 270.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 107259384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).