(3-bromo-5-ethyl-2-fluorophenyl)methanamine

C9H11BrFN — CID 117335693

IUPAC(3-bromo-5-ethyl-2-fluorophenyl)methanamine
SMILESCCc1cc(Br)c(F)c(CN)c1
InChIInChI=1S/C9H11BrFN/c1-2-6-3-7(5-12)9(11)8(10)4-6/h3-4H,2,5,12H2,1H3
InChIKeyOCIOSWFAERIERU-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.61
Rot. Bonds2

About (3-bromo-5-ethyl-2-fluorophenyl)methanamine

(3-bromo-5-ethyl-2-fluorophenyl)methanamine (PubChem CID 117335693) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is (3-bromo-5-ethyl-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-ethyl-2-fluorophenyl)methanamine
PubChem CID117335693
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name(3-bromo-5-ethyl-2-fluorophenyl)methanamine
SMILESCCc1cc(Br)c(F)c(CN)c1
InChIInChI=1S/C9H11BrFN/c1-2-6-3-7(5-12)9(11)8(10)4-6/h3-4H,2,5,12H2,1H3
InChIKeyOCIOSWFAERIERU-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromo-5-ethyl-2-fluorophenyl)butan-1-amine
CID 117437788
3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine
CID 117404097
2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
CID 117403867
(3-bromo-5-ethyl-2-fluorophenyl)boronic acid
CID 134715481
2,6-dibromo-4-ethylaniline
CID 14043928
[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
CID 53474963
(5-ethyl-2,3-dimethylphenyl)methanamine
CID 117276223
3-(3-bromo-5-ethyl-4-fluorophenyl)-2-methylpropanoic acid
CID 117466920
4-(3-bromo-5-ethyl-4-fluorophenyl)butanoic acid
CID 117466926
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
CID 117363982
5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine
CID 117456786
2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid
CID 117439532

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-ethyl-2-fluorophenyl)methanamine?
The IUPAC name of (3-bromo-5-ethyl-2-fluorophenyl)methanamine (CID 117335693) is (3-bromo-5-ethyl-2-fluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-5-ethyl-2-fluorophenyl)methanamine?
The canonical SMILES for (3-bromo-5-ethyl-2-fluorophenyl)methanamine is CCc1cc(Br)c(F)c(CN)c1.
What is the InChIKey of (3-bromo-5-ethyl-2-fluorophenyl)methanamine?
The InChIKey is OCIOSWFAERIERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-2-6-3-7(5-12)9(11)8(10)4-6/h3-4H,2,5,12H2,1H3.
What are the key properties of (3-bromo-5-ethyl-2-fluorophenyl)methanamine?
(3-bromo-5-ethyl-2-fluorophenyl)methanamine has a molecular weight of 232.10 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-ethyl-2-fluorophenyl)methanamine is sourced from PubChem (CID 117335693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).