2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline

C15H15Cl2NO — CID 43107869

IUPAC2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
SMILESCOc1ccccc1C(C)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10(12-5-3-4-6-15(12)19-2)18-14-9-11(16)7-8-13(14)17/h3-10,18H,1-2H3
InChIKeyXOFHNHIKSGXYKD-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.18
Rot. Bonds4

About 2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline

2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline (PubChem CID 43107869) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
PubChem CID43107869
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
SMILESCOc1ccccc1C(C)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10(12-5-3-4-6-15(12)19-2)18-14-9-11(16)7-8-13(14)17/h3-10,18H,1-2H3
InChIKeyXOFHNHIKSGXYKD-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43096601
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
CID 43109609
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43093470
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline (CID 43107869) is 2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline is COc1ccccc1C(C)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The InChIKey is XOFHNHIKSGXYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(12-5-3-4-6-15(12)19-2)18-14-9-11(16)7-8-13(14)17/h3-10,18H,1-2H3.
What are the key properties of 2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline has a molecular weight of 296.20 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43107869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).