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

C17H12BrCl2N — CID 81266419

IUPAC6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine
SMILESClc1ccc(Cl)c(CNc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H12BrCl2N/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-10-13-8-15(19)4-6-17(13)20/h1-9,21H,10H2
InChIKeyANITXEJZWSHCJS-UHFFFAOYSA-N
MW381.10 g/mol
LogP6.52
Rot. Bonds3

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

6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine (PubChem CID 81266419) has the molecular formula C17H12BrCl2N and a molecular weight of 381.10 g/mol. Its IUPAC name is 6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine
PubChem CID81266419
Molecular FormulaC17H12BrCl2N
Molecular Weight381.10 g/mol
Exact Mass378.95
IUPAC Name6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine
SMILESClc1ccc(Cl)c(CNc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H12BrCl2N/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-10-13-8-15(19)4-6-17(13)20/h1-9,21H,10H2
InChIKeyANITXEJZWSHCJS-UHFFFAOYSA-N
XLogP6.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.10
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine
CID 81265976
4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
CID 65315845
4-bromo-N-[(2,5-dichlorophenyl)methyl]-3-iodoaniline
CID 114259513
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
CID 66159137
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]ethanol
CID 103845164
6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine
CID 102836645
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-(trifluoromethyl)aniline
CID 43245814
2-bromo-6-chloroanthracene
CID 22728523
3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline
CID 65318262
N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 65315852

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine (CID 81266419) is 6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine is Clc1ccc(Cl)c(CNc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine?
The InChIKey is ANITXEJZWSHCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrCl2N/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-10-13-8-15(19)4-6-17(13)20/h1-9,21H,10H2.
What are the key properties of 6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine?
6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine has a molecular weight of 381.10 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81266419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).