(E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine

C10H11BrClN — CID 146317862

IUPAC(E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine
SMILESC/C=C(/N)c1c(Cl)ccc(Br)c1C
InChIInChI=1S/C10H11BrClN/c1-3-9(13)10-6(2)7(11)4-5-8(10)12/h3-5H,13H2,1-2H3/b9-3+
InChIKeyRMUGQJRKYFYREY-YCRREMRBSA-N
MW260.56 g/mol
LogP3.73
Rot. Bonds1

About (E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine

(E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine (PubChem CID 146317862) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is (E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine
PubChem CID146317862
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name(E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine
SMILESC/C=C(/N)c1c(Cl)ccc(Br)c1C
InChIInChI=1S/C10H11BrClN/c1-3-9(13)10-6(2)7(11)4-5-8(10)12/h3-5H,13H2,1-2H3/b9-3+
InChIKeyRMUGQJRKYFYREY-YCRREMRBSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(6-Bromo-3-chloro-2-fluorophenyl)propan-2-amine
CID 83410028
[6-Bromo-3-chloro-2-(trifluoromethyl)phenyl]methanamine
CID 171013658
[3-Bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine
CID 171013867
1-Amino-4-bromo-7-chloroindane
CID 66157086
(2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine
CID 68543639
2-(5-Bromo-2-chlorophenyl)butan-2-amine
CID 77512325
7-Bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
CID 103719126
2-(5-Bromo-2-chlorophenyl)propan-2-amine
CID 83726005
(E)-3-amino-3-(5-bromo-2-chlorophenyl)prop-2-enenitrile
CID 104011853
(Z)-3-amino-3-(5-bromo-2-chlorophenyl)-2-methylprop-2-enenitrile
CID 104012335

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine?
The IUPAC name of (E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine (CID 146317862) is (E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine?
The canonical SMILES for (E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine is C/C=C(/N)c1c(Cl)ccc(Br)c1C.
What is the InChIKey of (E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine?
The InChIKey is RMUGQJRKYFYREY-YCRREMRBSA-N. The full InChI is InChI=1S/C10H11BrClN/c1-3-9(13)10-6(2)7(11)4-5-8(10)12/h3-5H,13H2,1-2H3/b9-3+.
What are the key properties of (E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine?
(E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine has a molecular weight of 260.56 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 146317862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).