1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine

C16H16ClF2NO — CID 114862712

IUPAC1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Cl)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-2-13(20)7-10-3-4-11(17)8-16(10)21-15-6-5-12(18)9-14(15)19/h3-6,8-9,13H,2,7,20H2,1H3
InChIKeyUCMHNZSQBNHNNF-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.69
Rot. Bonds5

About 1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine

1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine (PubChem CID 114862712) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
PubChem CID114862712
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Cl)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-2-13(20)7-10-3-4-11(17)8-16(10)21-15-6-5-12(18)9-14(15)19/h3-6,8-9,13H,2,7,20H2,1H3
InChIKeyUCMHNZSQBNHNNF-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

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Related Compounds

1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149
1-[2-(4-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 63815769
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 116690754
1-[5-chloro-2-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 114863168
1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine
CID 114862793
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
1-[4-(2-bromo-4-fluorophenoxy)-3-fluorophenyl]butan-2-amine
CID 63816803
2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol
CID 170893583
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine (CID 114862712) is 1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine is CCC(N)Cc1ccc(Cl)cc1Oc1ccc(F)cc1F.
What is the InChIKey of 1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine?
The InChIKey is UCMHNZSQBNHNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-2-13(20)7-10-3-4-11(17)8-16(10)21-15-6-5-12(18)9-14(15)19/h3-6,8-9,13H,2,7,20H2,1H3.
What are the key properties of 1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine?
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]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-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 114862712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).