5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine

C11H11BrClN — CID 153395412

IUPAC5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine
SMILESCC1CC=C(N)c2c(Cl)ccc(Br)c21
InChIInChI=1S/C11H11BrClN/c1-6-2-5-9(14)11-8(13)4-3-7(12)10(6)11/h3-6H,2,14H2,1H3
InChIKeyXPPBSHOEJURXMM-UHFFFAOYSA-N
MW272.57 g/mol
LogP3.91
Rot. Bonds

About 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine

5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine (PubChem CID 153395412) has the molecular formula C11H11BrClN and a molecular weight of 272.57 g/mol. Its IUPAC name is 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine
PubChem CID153395412
Molecular FormulaC11H11BrClN
Molecular Weight272.57 g/mol
Exact Mass270.98
IUPAC Name5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine
SMILESCC1CC=C(N)c2c(Cl)ccc(Br)c21
InChIInChI=1S/C11H11BrClN/c1-6-2-5-9(14)11-8(13)4-3-7(12)10(6)11/h3-6H,2,14H2,1H3
InChIKeyXPPBSHOEJURXMM-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane
CID 153395411
2-(2-Bromo-5-chlorophenyl)propan-2-amine
CID 83726022
(2S)-2-(5-bromo-2-chlorophenyl)butan-2-amine
CID 68543639
2-(5-Bromo-2-chlorophenyl)butan-2-amine
CID 77512325
(E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine
CID 146317862
2-(5-Bromo-2-chlorophenyl)propan-2-amine
CID 83726005
(3-Bromo-2-methylphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 113974854
(2-Bromo-5-chlorophenyl)-(2-methylphenyl)methanamine
CID 114026959
(5-Bromo-2-chlorophenyl)-(2-methylphenyl)methanamine
CID 115794636
(3-Bromo-2-methylphenyl)-(2-chlorophenyl)methanamine
CID 115801387
(3-Bromo-2-methylphenyl)-(3-chlorophenyl)methanamine
CID 115811887
1-(5-Bromo-2-chlorophenyl)cyclohexan-1-amine
CID 117466296

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine?
The IUPAC name of 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine (CID 153395412) is 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine.
What is the SMILES notation for 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine?
The canonical SMILES for 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine is CC1CC=C(N)c2c(Cl)ccc(Br)c21.
What is the InChIKey of 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine?
The InChIKey is XPPBSHOEJURXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN/c1-6-2-5-9(14)11-8(13)4-3-7(12)10(6)11/h3-6H,2,14H2,1H3.
What are the key properties of 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine?
5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine has a molecular weight of 272.57 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine is sourced from PubChem (CID 153395412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).