1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine

C13H19ClFNO — CID 170890119

IUPAC1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine
SMILESCCCOc1cc(F)cc(Cl)c1CC(N)CC
InChIInChI=1S/C13H19ClFNO/c1-3-5-17-13-7-9(15)6-12(14)11(13)8-10(16)4-2/h6-7,10H,3-5,8,16H2,1-2H3
InChIKeyVAJMKYHASORGQO-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.55
Rot. Bonds6

About 1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine

1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine (PubChem CID 170890119) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine
PubChem CID170890119
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine
SMILESCCCOc1cc(F)cc(Cl)c1CC(N)CC
InChIInChI=1S/C13H19ClFNO/c1-3-5-17-13-7-9(15)6-12(14)11(13)8-10(16)4-2/h6-7,10H,3-5,8,16H2,1-2H3
InChIKeyVAJMKYHASORGQO-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
1-(3-propan-2-yl-4-propoxyphenyl)butan-2-amine
CID 170890539
1-(4-chloro-2,6-difluorophenyl)butan-2-amine
CID 130848043
1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
1-[2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]butan-2-amine
CID 116617169
1-[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 114322152
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890039
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine (CID 170890119) is 1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine is CCCOc1cc(F)cc(Cl)c1CC(N)CC.
What is the InChIKey of 1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine?
The InChIKey is VAJMKYHASORGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-3-5-17-13-7-9(15)6-12(14)11(13)8-10(16)4-2/h6-7,10H,3-5,8,16H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine?
1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine has a molecular weight of 259.75 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine is sourced from PubChem (CID 170890119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).