6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol

C19H18BrNO — CID 20604839

IUPAC6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol
SMILESCc1ccccc1N(C)Cc1cc2cc(Br)ccc2cc1O
InChIInChI=1S/C19H18BrNO/c1-13-5-3-4-6-18(13)21(2)12-16-9-15-10-17(20)8-7-14(15)11-19(16)22/h3-11,22H,12H2,1-2H3
InChIKeyCGLDGFSAEVVWGS-UHFFFAOYSA-N
MW356.26 g/mol
LogP5.25
Rot. Bonds3

About 6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol

6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol (PubChem CID 20604839) has the molecular formula C19H18BrNO and a molecular weight of 356.26 g/mol. Its IUPAC name is 6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol
PubChem CID20604839
Molecular FormulaC19H18BrNO
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC Name6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol
SMILESCc1ccccc1N(C)Cc1cc2cc(Br)ccc2cc1O
InChIInChI=1S/C19H18BrNO/c1-13-5-3-4-6-18(13)21(2)12-16-9-15-10-17(20)8-7-14(15)11-19(16)22/h3-11,22H,12H2,1-2H3
InChIKeyCGLDGFSAEVVWGS-UHFFFAOYSA-N
XLogP5.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.26
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 63551348
4-bromo-2-[(N,4-dimethylanilino)methyl]phenol
CID 82979138
4-bromo-2-[methyl-[(2-methylphenyl)methyl]amino]benzaldehyde
CID 63534951
4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
CID 22042659
4-bromo-2-[(2-methylphenyl)methyl]phenol
CID 164892192
5-bromo-2-hydroxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 43016464
1-(4-bromo-2-chlorophenyl)-3-(N,2-dimethylanilino)propan-1-one
CID 82777939
2-bromo-N'-hydroxy-6-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114883137
1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 82967281
3-(4-aminobutyl)-6-bromonaphthalen-2-ol
CID 117474498

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol?
The IUPAC name of 6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol (CID 20604839) is 6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol.
What is the SMILES notation for 6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol?
The canonical SMILES for 6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol is Cc1ccccc1N(C)Cc1cc2cc(Br)ccc2cc1O.
What is the InChIKey of 6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol?
The InChIKey is CGLDGFSAEVVWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO/c1-13-5-3-4-6-18(13)21(2)12-16-9-15-10-17(20)8-7-14(15)11-19(16)22/h3-11,22H,12H2,1-2H3.
What are the key properties of 6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol?
6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol has a molecular weight of 356.26 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol is sourced from PubChem (CID 20604839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).