N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C18H20BrNO — CID 79231811

IUPACN-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(Nc1ccc(C)cc1Br)CCC2
InChIInChI=1S/C18H20BrNO/c1-12-6-9-18(16(19)10-12)20-17-5-3-4-13-7-8-14(21-2)11-15(13)17/h6-11,17,20H,3-5H2,1-2H3
InChIKeyRARCKSUZLIUUNK-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.26
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79231811) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79231811
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(Nc1ccc(C)cc1Br)CCC2
InChIInChI=1S/C18H20BrNO/c1-12-6-9-18(16(19)10-12)20-17-5-3-4-13-7-8-14(21-2)11-15(13)17/h6-11,17,20H,3-5H2,1-2H3
InChIKeyRARCKSUZLIUUNK-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79233981
N-(2-bromo-5-methylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82762030
7-methoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239327
N-(2,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366302
N-(5-chloro-2-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230733
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyridin-3-amine
CID 79248518
N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 102852883
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 103725185
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 79239080
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 107572282

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79231811) is N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(Nc1ccc(C)cc1Br)CCC2.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RARCKSUZLIUUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12-6-9-18(16(19)10-12)20-17-5-3-4-13-7-8-14(21-2)11-15(13)17/h6-11,17,20H,3-5H2,1-2H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 346.27 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79231811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).