2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine

C11H15ClFNO — CID 105394111

IUPAC2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)(N)c1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-11(14,5-6-15-2)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,14H2,1-2H3
InChIKeyZTSFZUWHBDQGAS-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine

2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine (PubChem CID 105394111) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
PubChem CID105394111
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)(N)c1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-11(14,5-6-15-2)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,14H2,1-2H3
InChIKeyZTSFZUWHBDQGAS-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
CID 82808256
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967
2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
CID 83835796
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 105394112
2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol
CID 105393954
2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol
CID 62787833
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine
CID 107128253
4-methoxy-2-(4-methoxy-2-methylphenyl)butan-2-amine
CID 65313648
1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine
CID 164667498

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine (CID 105394111) is 2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine is COCCC(C)(N)c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine?
The InChIKey is ZTSFZUWHBDQGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-11(14,5-6-15-2)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine?
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine has a molecular weight of 231.70 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 105394111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).