1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine

C12H17ClFNO2 — CID 114032967

IUPAC1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine
SMILESCOCCOCC(N)Cc1cccc(F)c1Cl
InChIInChI=1S/C12H17ClFNO2/c1-16-5-6-17-8-10(15)7-9-3-2-4-11(14)12(9)13/h2-4,10H,5-8,15H2,1H3
InChIKeyZSHGRRZGTULHBF-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.01
Rot. Bonds7

About 1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine

1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine (PubChem CID 114032967) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine
PubChem CID114032967
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine
SMILESCOCCOCC(N)Cc1cccc(F)c1Cl
InChIInChI=1S/C12H17ClFNO2/c1-16-5-6-17-8-10(15)7-9-3-2-4-11(14)12(9)13/h2-4,10H,5-8,15H2,1H3
InChIKeyZSHGRRZGTULHBF-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-3-fluorophenyl)-1,1-dimethoxypropan-2-amine
CID 112653856
1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927780
1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 112652212
1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463
methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate
CID 112653100
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 115983731
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine (CID 114032967) is 1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine is COCCOCC(N)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine?
The InChIKey is ZSHGRRZGTULHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO2/c1-16-5-6-17-8-10(15)7-9-3-2-4-11(14)12(9)13/h2-4,10H,5-8,15H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine?
1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine has a molecular weight of 261.72 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine is sourced from PubChem (CID 114032967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).