1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine

C16H17ClFNO — CID 63817705

IUPAC1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1Oc1ccccc1F
InChIInChI=1S/C16H17ClFNO/c1-2-11(19)10-12-13(17)6-5-9-15(12)20-16-8-4-3-7-14(16)18/h3-9,11H,2,10,19H2,1H3
InChIKeyMNPJPFOHHVPQBV-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.55
Rot. Bonds5

About 1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine

1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine (PubChem CID 63817705) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
PubChem CID63817705
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1Oc1ccccc1F
InChIInChI=1S/C16H17ClFNO/c1-2-11(19)10-12-13(17)6-5-9-15(12)20-16-8-4-3-7-14(16)18/h3-9,11H,2,10,19H2,1H3
InChIKeyMNPJPFOHHVPQBV-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]butan-2-amine
CID 63879542
1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine
CID 83232907
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine
CID 63815743
1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889150
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
1-[2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]butan-2-amine
CID 116617169
ethyl 2-[2-(2-aminobutyl)-3-chlorophenoxy]propanoate
CID 114322013
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 116690754
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 114321998

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine (CID 63817705) is 1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine is CCC(N)Cc1c(Cl)cccc1Oc1ccccc1F.
What is the InChIKey of 1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine?
The InChIKey is MNPJPFOHHVPQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-2-11(19)10-12-13(17)6-5-9-15(12)20-16-8-4-3-7-14(16)18/h3-9,11H,2,10,19H2,1H3.
What are the key properties of 1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine?
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 63817705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).