2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline

C18H15Cl2N — CID 43097452

IUPAC2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H15Cl2N/c1-12(21-18-9-8-16(19)11-17(18)20)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3
InChIKeyRNJBUKPIKKKXLO-UHFFFAOYSA-N
MW316.23 g/mol
LogP6.32
Rot. Bonds3

About 2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline

2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline (PubChem CID 43097452) has the molecular formula C18H15Cl2N and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
PubChem CID43097452
Molecular FormulaC18H15Cl2N
Molecular Weight316.23 g/mol
Exact Mass315.06
IUPAC Name2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H15Cl2N/c1-12(21-18-9-8-16(19)11-17(18)20)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3
InChIKeyRNJBUKPIKKKXLO-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.23
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43150506
2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 81268026
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
5-bromo-2-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 63478602
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43104033
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43758692
4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline?
The IUPAC name of 2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline (CID 43097452) is 2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline is CC(Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline?
The InChIKey is RNJBUKPIKKKXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N/c1-12(21-18-9-8-16(19)11-17(18)20)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3.
What are the key properties of 2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline?
2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline has a molecular weight of 316.23 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline is sourced from PubChem (CID 43097452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).