2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine

C11H15ClFNO — CID 82727583

IUPAC2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine
SMILESCCC(CNC)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO/c1-3-8(7-14-2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyYHRWUKNEONTGTN-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine

2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine (PubChem CID 82727583) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine
PubChem CID82727583
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine
SMILESCCC(CNC)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO/c1-3-8(7-14-2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyYHRWUKNEONTGTN-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 82726931
N-[2-(4-chloro-3-fluorophenoxy)propyl]pentan-3-amine
CID 82726858
2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine
CID 103228959
3-(4-chloro-3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 175702140
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775
(4S)-4-[(2R)-2-(4-chloro-3-fluorophenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67178117
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine (CID 82727583) is 2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine is CCC(CNC)Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine?
The InChIKey is YHRWUKNEONTGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-3-8(7-14-2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine?
2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine has a molecular weight of 231.70 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine is sourced from PubChem (CID 82727583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).