3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline

C15H15Cl2NO — CID 43079492

IUPAC3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)c2ccccc2Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10(12-5-3-4-6-13(12)16)18-11-7-8-15(19-2)14(17)9-11/h3-10,18H,1-2H3
InChIKeyKFYRZJXQKGJFKB-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.18
Rot. Bonds4

About 3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline

3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline (PubChem CID 43079492) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
PubChem CID43079492
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)c2ccccc2Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10(12-5-3-4-6-13(12)16)18-11-7-8-15(19-2)14(17)9-11/h3-10,18H,1-2H3
InChIKeyKFYRZJXQKGJFKB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624450
4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 107618729
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxyaniline
CID 43103753
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824
3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43191617
3-chloro-4-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758115
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-chloro-4-methoxyaniline
CID 82962595
N-[1-(2-chlorophenyl)ethyl]-6-methoxypyridin-3-amine
CID 43189825
3-chloro-N-[1-(2-fluorophenyl)ethyl]-4-propan-2-yloxyaniline
CID 43727176
4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline?
The IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline (CID 43079492) is 3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline.
What is the SMILES notation for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline?
The canonical SMILES for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline is COc1ccc(NC(C)c2ccccc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline?
The InChIKey is KFYRZJXQKGJFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(12-5-3-4-6-13(12)16)18-11-7-8-15(19-2)14(17)9-11/h3-10,18H,1-2H3.
What are the key properties of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline?
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline 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 3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline is sourced from PubChem (CID 43079492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).