1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine

C21H22BrNO — CID 139606342

IUPAC1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine
SMILESCOc1c(C)cc(Br)c(-c2c(N(C)C)ccc3ccccc23)c1C
InChIInChI=1S/C21H22BrNO/c1-13-12-17(22)19(14(2)21(13)24-5)20-16-9-7-6-8-15(16)10-11-18(20)23(3)4/h6-12H,1-5H3
InChIKeyYXKOMFXLZTVJIX-UHFFFAOYSA-N
MW384.32 g/mol
LogP5.96
Rot. Bonds3

About 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine

1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine (PubChem CID 139606342) has the molecular formula C21H22BrNO and a molecular weight of 384.32 g/mol. Its IUPAC name is 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine.

Molecular Properties

Compound Name1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine
PubChem CID139606342
Molecular FormulaC21H22BrNO
Molecular Weight384.32 g/mol
Exact Mass383.09
IUPAC Name1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine
SMILESCOc1c(C)cc(Br)c(-c2c(N(C)C)ccc3ccccc23)c1C
InChIInChI=1S/C21H22BrNO/c1-13-12-17(22)19(14(2)21(13)24-5)20-16-9-7-6-8-15(16)10-11-18(20)23(3)4/h6-12H,1-5H3
InChIKeyYXKOMFXLZTVJIX-UHFFFAOYSA-N
XLogP5.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.32
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine?
The IUPAC name of 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine (CID 139606342) is 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine.
What is the SMILES notation for 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine?
The canonical SMILES for 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine is COc1c(C)cc(Br)c(-c2c(N(C)C)ccc3ccccc23)c1C.
What is the InChIKey of 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine?
The InChIKey is YXKOMFXLZTVJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrNO/c1-13-12-17(22)19(14(2)21(13)24-5)20-16-9-7-6-8-15(16)10-11-18(20)23(3)4/h6-12H,1-5H3.
What are the key properties of 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine?
1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine has a molecular weight of 384.32 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-methoxy-2,4-dimethylphenyl)-N,N-dimethylnaphthalen-2-amine is sourced from PubChem (CID 139606342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).