(4-bromo-2-ethylphenyl)methanamine;ethane

C13H24BrN — CID 143720701

IUPAC(4-bromo-2-ethylphenyl)methanamine;ethane
SMILESCC.CC.CCc1cc(Br)ccc1CN
InChIInChI=1S/C9H12BrN.2C2H6/c1-2-7-5-9(10)4-3-8(7)6-11;2*1-2/h3-5H,2,6,11H2,1H3;2*1-2H3
InChIKeyHGQZWEPSXXHUFS-UHFFFAOYSA-N
MW274.25 g/mol
LogP4.52
Rot. Bonds2

About (4-bromo-2-ethylphenyl)methanamine;ethane

(4-bromo-2-ethylphenyl)methanamine;ethane (PubChem CID 143720701) has the molecular formula C13H24BrN and a molecular weight of 274.25 g/mol. Its IUPAC name is (4-bromo-2-ethylphenyl)methanamine;ethane.

Molecular Properties

Compound Name(4-bromo-2-ethylphenyl)methanamine;ethane
PubChem CID143720701
Molecular FormulaC13H24BrN
Molecular Weight274.25 g/mol
Exact Mass273.11
IUPAC Name(4-bromo-2-ethylphenyl)methanamine;ethane
SMILESCC.CC.CCc1cc(Br)ccc1CN
InChIInChI=1S/C9H12BrN.2C2H6/c1-2-7-5-9(10)4-3-8(7)6-11;2*1-2/h3-5H,2,6,11H2,1H3;2*1-2H3
InChIKeyHGQZWEPSXXHUFS-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[5-bromo-2-(methylsulfonylmethyl)phenyl]methanamine
CID 130559975
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
[4,5-bis(aminomethyl)-2-ethylphenyl]methanamine
CID 70657615
(4-bromo-2,6-diethylphenyl)methanamine
CID 58266734
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
(4-bromo-2-ethylsulfanylphenyl)methanamine
CID 63805186
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
2-(aminomethyl)-4-bromo-6-ethylbenzenediazonium
CID 158895500
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
methyl 2-(aminomethyl)-5-bromobenzoate
CID 44828923

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-ethylphenyl)methanamine;ethane?
The IUPAC name of (4-bromo-2-ethylphenyl)methanamine;ethane (CID 143720701) is (4-bromo-2-ethylphenyl)methanamine;ethane.
What is the SMILES notation for (4-bromo-2-ethylphenyl)methanamine;ethane?
The canonical SMILES for (4-bromo-2-ethylphenyl)methanamine;ethane is CC.CC.CCc1cc(Br)ccc1CN.
What is the InChIKey of (4-bromo-2-ethylphenyl)methanamine;ethane?
The InChIKey is HGQZWEPSXXHUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN.2C2H6/c1-2-7-5-9(10)4-3-8(7)6-11;2*1-2/h3-5H,2,6,11H2,1H3;2*1-2H3.
What are the key properties of (4-bromo-2-ethylphenyl)methanamine;ethane?
(4-bromo-2-ethylphenyl)methanamine;ethane has a molecular weight of 274.25 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-ethylphenyl)methanamine;ethane is sourced from PubChem (CID 143720701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).