1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol

C15H25FN2O2 — CID 79389708

IUPAC1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol
SMILESCOCCNCc1ccc(N(C)CC(C)(C)O)c(F)c1
InChIInChI=1S/C15H25FN2O2/c1-15(2,19)11-18(3)14-6-5-12(9-13(14)16)10-17-7-8-20-4/h5-6,9,17,19H,7-8,10-11H2,1-4H3
InChIKeyRIWPLDPXRYQLJQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.77
Rot. Bonds8

About 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol

1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol (PubChem CID 79389708) has the molecular formula C15H25FN2O2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol
PubChem CID79389708
Molecular FormulaC15H25FN2O2
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Name1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol
SMILESCOCCNCc1ccc(N(C)CC(C)(C)O)c(F)c1
InChIInChI=1S/C15H25FN2O2/c1-15(2,19)11-18(3)14-6-5-12(9-13(14)16)10-17-7-8-20-4/h5-6,9,17,19H,7-8,10-11H2,1-4H3
InChIKeyRIWPLDPXRYQLJQ-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol
CID 79389415
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060260
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 107288905
N-(2,2-dimethylpropyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63071895
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol (CID 79389708) is 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol is COCCNCc1ccc(N(C)CC(C)(C)O)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol?
The InChIKey is RIWPLDPXRYQLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-15(2,19)11-18(3)14-6-5-12(9-13(14)16)10-17-7-8-20-4/h5-6,9,17,19H,7-8,10-11H2,1-4H3.
What are the key properties of 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol?
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol has a molecular weight of 284.38 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).