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

C16H22BrClF3N — CID 153395411

IUPAC5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane
SMILESCC.CC1CC=C(N)c2c(Cl)ccc(Br)c21.CCC(F)(F)F
InChIInChI=1S/C11H11BrClN.C3H5F3.C2H6/c1-6-2-5-9(14)11-8(13)4-3-7(12)10(6)11;1-2-3(4,5)6;1-2/h3-6H,2,14H2,1H3;2H2,1H3;1-2H3
InChIKeyWWNYWALMRBZUPO-UHFFFAOYSA-N
MW400.71 g/mol
LogP6.89
Rot. Bonds

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

5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane (PubChem CID 153395411) has the molecular formula C16H22BrClF3N and a molecular weight of 400.71 g/mol. Its IUPAC name is 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane.

Molecular Properties

Compound Name5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane
PubChem CID153395411
Molecular FormulaC16H22BrClF3N
Molecular Weight400.71 g/mol
Exact Mass399.06
IUPAC Name5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane
SMILESCC.CC1CC=C(N)c2c(Cl)ccc(Br)c21.CCC(F)(F)F
InChIInChI=1S/C11H11BrClN.C3H5F3.C2H6/c1-6-2-5-9(14)11-8(13)4-3-7(12)10(6)11;1-2-3(4,5)6;1-2/h3-6H,2,14H2,1H3;2H2,1H3;1-2H3
InChIKeyWWNYWALMRBZUPO-UHFFFAOYSA-N
XLogP6.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.71
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-bromo-4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine
CID 134217814
[2-bromo-4-[(E)-3-(3-chloro-4-methylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine
CID 134225627
[6-Bromo-3-chloro-2-(trifluoromethyl)phenyl]methanamine
CID 171013658
[3-Bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine
CID 171013867
(E)-1-(3-bromo-6-chloro-2-methylphenyl)prop-1-en-1-amine
CID 146317862
5-Bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine
CID 153395412

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane?
The IUPAC name of 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane (CID 153395411) is 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane.
What is the SMILES notation for 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane?
The canonical SMILES for 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane is CC.CC1CC=C(N)c2c(Cl)ccc(Br)c21.CCC(F)(F)F.
What is the InChIKey of 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane?
The InChIKey is WWNYWALMRBZUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN.C3H5F3.C2H6/c1-6-2-5-9(14)11-8(13)4-3-7(12)10(6)11;1-2-3(4,5)6;1-2/h3-6H,2,14H2,1H3;2H2,1H3;1-2H3.
What are the key properties of 5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane?
5-bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane has a molecular weight of 400.71 g/mol, XLogP of 6.89, 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;ethane;1,1,1-trifluoropropane is sourced from PubChem (CID 153395411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).