(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine

C9H11ClFN — CID 84770610

IUPAC(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
SMILESCc1c(Cl)cc(CN)c(C)c1F
InChIInChI=1S/C9H11ClFN/c1-5-7(4-12)3-8(10)6(2)9(5)11/h3H,4,12H2,1-2H3
InChIKeyGAZMBQKFVFUXRR-UHFFFAOYSA-N
MW187.64 g/mol
LogP2.55
Rot. Bonds1

About (5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine

(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine (PubChem CID 84770610) has the molecular formula C9H11ClFN and a molecular weight of 187.64 g/mol. Its IUPAC name is (5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
PubChem CID84770610
Molecular FormulaC9H11ClFN
Molecular Weight187.64 g/mol
Exact Mass187.06
IUPAC Name(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
SMILESCc1c(Cl)cc(CN)c(C)c1F
InChIInChI=1S/C9H11ClFN/c1-5-7(4-12)3-8(10)6(2)9(5)11/h3H,4,12H2,1-2H3
InChIKeyGAZMBQKFVFUXRR-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.64
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-difluoro-2,4-dimethylphenyl)methanamine
CID 84765917
(3,5-dichloro-2-methylphenyl)methanamine
CID 121228387
[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
CID 84791909
(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
CID 84675684
5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine
CID 118665237
(3-chloro-2-methyl-5-nitrophenyl)methanamine
CID 130778123
(4-chloro-5-fluoro-2-iodophenyl)methanamine
CID 171016038
(5-bromo-3-iodo-2-methylphenyl)methanamine
CID 171018365
(3-chloro-4-fluoro-2-methylphenyl)methanamine
CID 84766568
(4-chloro-2,5-dimethylphenyl)methanamine
CID 22980871
[3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine
CID 123483002
3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine
CID 84776584

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine?
The IUPAC name of (5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine (CID 84770610) is (5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine?
The canonical SMILES for (5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine is Cc1c(Cl)cc(CN)c(C)c1F.
What is the InChIKey of (5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine?
The InChIKey is GAZMBQKFVFUXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-5-7(4-12)3-8(10)6(2)9(5)11/h3H,4,12H2,1-2H3.
What are the key properties of (5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine?
(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine has a molecular weight of 187.64 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 84770610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).