1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine

C16H16ClF2NO — CID 116690754

IUPAC1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C16H16ClF2NO/c1-2-12(20)9-10-8-11(18)6-7-14(10)21-15-5-3-4-13(17)16(15)19/h3-8,12H,2,9,20H2,1H3
InChIKeySJTKZPQSRZYWQI-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.69
Rot. Bonds5

About 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine

1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine (PubChem CID 116690754) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
PubChem CID116690754
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C16H16ClF2NO/c1-2-12(20)9-10-8-11(18)6-7-14(10)21-15-5-3-4-13(17)16(15)19/h3-8,12H,2,9,20H2,1H3
InChIKeySJTKZPQSRZYWQI-UHFFFAOYSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425
N-[[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 116689588
1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
CID 107661732
1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
CID 63802588
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
CID 114862712
1-[5-chloro-2-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 114863168
1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102619488
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
2-[2-(2-aminobutyl)-4-fluorophenoxy]propanenitrile
CID 107701489

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine (CID 116690754) is 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1Oc1cccc(Cl)c1F.
What is the InChIKey of 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine?
The InChIKey is SJTKZPQSRZYWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-2-12(20)9-10-8-11(18)6-7-14(10)21-15-5-3-4-13(17)16(15)19/h3-8,12H,2,9,20H2,1H3.
What are the key properties of 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine?
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine has a molecular weight of 311.76 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine is sourced from PubChem (CID 116690754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).