2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline

C18H15BrClN — CID 81268026

IUPAC2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline
SMILESCC(Nc1cc(Cl)ccc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C18H15BrClN/c1-12(21-18-11-16(20)8-9-17(18)19)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3
InChIKeyWMQVSYMUEKHGFQ-UHFFFAOYSA-N
MW360.68 g/mol
LogP6.43
Rot. Bonds3

About 2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline

2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline (PubChem CID 81268026) has the molecular formula C18H15BrClN and a molecular weight of 360.68 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline
PubChem CID81268026
Molecular FormulaC18H15BrClN
Molecular Weight360.68 g/mol
Exact Mass359.01
IUPAC Name2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline
SMILESCC(Nc1cc(Cl)ccc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C18H15BrClN/c1-12(21-18-11-16(20)8-9-17(18)19)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3
InChIKeyWMQVSYMUEKHGFQ-UHFFFAOYSA-N
XLogP6.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.68
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43097452
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393
2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 81271462
5-bromo-2-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 63478602
2-bromo-5-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]aniline
CID 81269412
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
CID 82761850
2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 81271218
2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43150506
2-bromo-N-[1-(4-butylphenyl)ethyl]-5-chloroaniline
CID 81269540
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline?
The IUPAC name of 2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline (CID 81268026) is 2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline is CC(Nc1cc(Cl)ccc1Br)c1ccc2ccccc2c1.
What is the InChIKey of 2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline?
The InChIKey is WMQVSYMUEKHGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN/c1-12(21-18-11-16(20)8-9-17(18)19)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3.
What are the key properties of 2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline?
2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline has a molecular weight of 360.68 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline is sourced from PubChem (CID 81268026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).