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

C14H23FN2O2 — CID 55147418

IUPAC1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
SMILESCOCCNCc1cc(F)ccc1N(C)CC(C)O
InChIInChI=1S/C14H23FN2O2/c1-11(18)10-17(2)14-5-4-13(15)8-12(14)9-16-6-7-19-3/h4-5,8,11,16,18H,6-7,9-10H2,1-3H3
InChIKeyWBXOIOYSBSNDMS-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.38
Rot. Bonds8

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

1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol (PubChem CID 55147418) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
PubChem CID55147418
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
SMILESCOCCNCc1cc(F)ccc1N(C)CC(C)O
InChIInChI=1S/C14H23FN2O2/c1-11(18)10-17(2)14-5-4-13(15)8-12(14)9-16-6-7-19-3/h4-5,8,11,16,18H,6-7,9-10H2,1-3H3
InChIKeyWBXOIOYSBSNDMS-UHFFFAOYSA-N
XLogP1.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63071895
N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63059181
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 63060764
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115986356
2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide
CID 63071874
1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 114850641
4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 43313970
3-[[5-fluoro-2-[methyl(2-methylbutyl)amino]phenyl]methylamino]propanoic acid
CID 120913149
N-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-N-methylthiolan-3-amine
CID 63058598
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
2-[2-[(2-methoxyethylamino)methyl]-N,4-dimethylanilino]ethanol
CID 114055007
N-[[5-fluoro-2-(2-methoxypropoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697107

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol?
The IUPAC name of 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol (CID 55147418) is 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol.
What is the SMILES notation for 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol?
The canonical SMILES for 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol is COCCNCc1cc(F)ccc1N(C)CC(C)O.
What is the InChIKey of 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol?
The InChIKey is WBXOIOYSBSNDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-11(18)10-17(2)14-5-4-13(15)8-12(14)9-16-6-7-19-3/h4-5,8,11,16,18H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol?
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol has a molecular weight of 270.35 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol is sourced from PubChem (CID 55147418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).