6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine

C17H12Br2ClN — CID 81265976

IUPAC6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine
SMILESClc1ccc(Br)c(CNc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H12Br2ClN/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-10-13-8-15(20)4-6-17(13)19/h1-9,21H,10H2
InChIKeyJZLUFQYIPQZELT-UHFFFAOYSA-N
MW425.55 g/mol
LogP6.63
Rot. Bonds3

About 6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine

6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine (PubChem CID 81265976) has the molecular formula C17H12Br2ClN and a molecular weight of 425.55 g/mol. Its IUPAC name is 6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine
PubChem CID81265976
Molecular FormulaC17H12Br2ClN
Molecular Weight425.55 g/mol
Exact Mass422.90
IUPAC Name6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine
SMILESClc1ccc(Br)c(CNc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H12Br2ClN/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-10-13-8-15(20)4-6-17(13)19/h1-9,21H,10H2
InChIKeyJZLUFQYIPQZELT-UHFFFAOYSA-N
XLogP6.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine
CID 81266419
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
CID 66159137
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
N-[(2-bromo-5-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 66158601
N-[(2-bromo-5-chlorophenyl)methyl]-1,3-benzodioxol-5-amine
CID 66161040
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311
4-[(2-bromo-5-chlorophenyl)methylamino]benzonitrile
CID 66159273
4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
CID 65315845
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine (CID 81265976) is 6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine is Clc1ccc(Br)c(CNc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine?
The InChIKey is JZLUFQYIPQZELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2ClN/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-10-13-8-15(20)4-6-17(13)19/h1-9,21H,10H2.
What are the key properties of 6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine?
6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine has a molecular weight of 425.55 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81265976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).