1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol

C12H17ClFNO2 — CID 107889050

IUPAC1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNO2/c1-17-5-4-15-8-10(16)6-9-2-3-11(13)12(14)7-9/h2-3,7,10,15-16H,4-6,8H2,1H3
InChIKeyQPELEKCDOMXFKZ-UHFFFAOYSA-N
MW261.72 g/mol
LogP1.62
Rot. Bonds7

About 1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol

1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 107889050) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID107889050
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNO2/c1-17-5-4-15-8-10(16)6-9-2-3-11(13)12(14)7-9/h2-3,7,10,15-16H,4-6,8H2,1H3
InChIKeyQPELEKCDOMXFKZ-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 107897425
1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 114012678
N-[(4-chloro-3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588223
(E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 114013102
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
CID 103039553
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
1-(2,5-difluorophenyl)sulfanyl-3-(2-methoxyethylamino)propan-2-ol
CID 113317862
1-(3-bromo-2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
CID 106273651
[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 107895069

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol (CID 107889050) is 1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is QPELEKCDOMXFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO2/c1-17-5-4-15-8-10(16)6-9-2-3-11(13)12(14)7-9/h2-3,7,10,15-16H,4-6,8H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol?
1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 261.72 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 107889050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).