3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine

C11H15ClFN — CID 84784490

IUPAC3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine
SMILESCc1cc(Cl)cc(C(C)CCN)c1F
InChIInChI=1S/C11H15ClFN/c1-7(3-4-14)10-6-9(12)5-8(2)11(10)13/h5-7H,3-4,14H2,1-2H3
InChIKeyBAQZGRALDKQYOR-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.24
Rot. Bonds3

About 3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine

3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine (PubChem CID 84784490) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine
PubChem CID84784490
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine
SMILESCc1cc(Cl)cc(C(C)CCN)c1F
InChIInChI=1S/C11H15ClFN/c1-7(3-4-14)10-6-9(12)5-8(2)11(10)13/h5-7H,3-4,14H2,1-2H3
InChIKeyBAQZGRALDKQYOR-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol
CID 117291198
3-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]butan-1-amine
CID 117366811
3-(3-chloro-2,6-difluoro-5-methylphenyl)butan-1-amine
CID 117339667
3-(4,5-dichloro-2-methylphenyl)butan-1-amine
CID 84795234
3-(4-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782148
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327295
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
3-(3,5-difluoro-2-methylphenyl)butan-1-amine
CID 117288664
3-(3-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782147
3-(5-chloro-2-fluoro-3-methylphenyl)propan-1-amine
CID 84776580
3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
CID 84788316

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine?
The IUPAC name of 3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine (CID 84784490) is 3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine?
The canonical SMILES for 3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine is Cc1cc(Cl)cc(C(C)CCN)c1F.
What is the InChIKey of 3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine?
The InChIKey is BAQZGRALDKQYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-7(3-4-14)10-6-9(12)5-8(2)11(10)13/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine?
3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine is sourced from PubChem (CID 84784490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).