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

C11H15ClFNO — CID 82727291

IUPAC2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine
SMILESCC(C)C(CN)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO/c1-7(2)11(6-14)15-8-3-4-9(12)10(13)5-8/h3-5,7,11H,6,14H2,1-2H3
InChIKeyCFZHHIOQQCJLRN-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.84
Rot. Bonds4

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

2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine (PubChem CID 82727291) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine
PubChem CID82727291
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine
SMILESCC(C)C(CN)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO/c1-7(2)11(6-14)15-8-3-4-9(12)10(13)5-8/h3-5,7,11H,6,14H2,1-2H3
InChIKeyCFZHHIOQQCJLRN-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine
CID 103228959
2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544
2-(3,5-difluorophenoxy)-3-methylbutan-1-amine
CID 62784520
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
2-(4-chloro-3-fluorophenoxy)propanethioamide
CID 82716100
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134
1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
CID 82726969
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
N-[2-(4-chloro-3-fluorophenoxy)propyl]pentan-3-amine
CID 82726858
2-(4-chloro-3-fluorophenoxy)propanimidamide
CID 82716648
1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 82716782
1-(4-bromophenyl)-1-(4-chloro-3-fluorophenoxy)propan-2-amine
CID 82716945

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine (CID 82727291) is 2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine is CC(C)C(CN)Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine?
The InChIKey is CFZHHIOQQCJLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7(2)11(6-14)15-8-3-4-9(12)10(13)5-8/h3-5,7,11H,6,14H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine?
2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine has a molecular weight of 231.70 g/mol, XLogP of 2.84, 4 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)-3-methylbutan-1-amine is sourced from PubChem (CID 82727291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).