1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol

C15H25FN2O2 — CID 115475277

IUPAC1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C15H25FN2O2/c1-12(14-6-4-5-7-15(14)16)18(2)11-13(19)10-17-8-9-20-3/h4-7,12-13,17,19H,8-11H2,1-3H3
InChIKeyGSQQCOLSRSNTEC-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.42
Rot. Bonds9

About 1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol

1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 115475277) has the molecular formula C15H25FN2O2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
PubChem CID115475277
Molecular FormulaC15H25FN2O2
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Name1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C15H25FN2O2/c1-12(14-6-4-5-7-15(14)16)18(2)11-13(19)10-17-8-9-20-3/h4-7,12-13,17,19H,8-11H2,1-3H3
InChIKeyGSQQCOLSRSNTEC-UHFFFAOYSA-N
XLogP1.42
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.42
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

1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505692
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62985101
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
CID 62983990
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 39366264
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475001
2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62985637
1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
CID 54964766
3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 64898179

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol (CID 115475277) is 1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CN(C)C(C)c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is GSQQCOLSRSNTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-12(14-6-4-5-7-15(14)16)18(2)11-13(19)10-17-8-9-20-3/h4-7,12-13,17,19H,8-11H2,1-3H3.
What are the key properties of 1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol?
1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 284.38 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 115475277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).