2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline

C15H15Cl2NO — CID 54797935

IUPAC2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c1-19-12-7-5-11(6-8-12)9-10-18-14-4-2-3-13(16)15(14)17/h2-8,18H,9-10H2,1H3
InChIKeyPPWCYDXPTNETJM-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.66
Rot. Bonds5

About 2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline

2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline (PubChem CID 54797935) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline
PubChem CID54797935
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c1-19-12-7-5-11(6-8-12)9-10-18-14-4-2-3-13(16)15(14)17/h2-8,18H,9-10H2,1H3
InChIKeyPPWCYDXPTNETJM-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895451
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
2-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446525
4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861730
2-N-(3-chloro-2-methylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921332
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline
CID 68835193
2,3-dichloro-N-(4-phenylbutyl)aniline
CID 114333166
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
CID 75531511
2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54801636
4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860320

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline (CID 54797935) is 2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline is COc1ccc(CCNc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is PPWCYDXPTNETJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-19-12-7-5-11(6-8-12)9-10-18-14-4-2-3-13(16)15(14)17/h2-8,18H,9-10H2,1H3.
What are the key properties of 2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline?
2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 296.20 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 54797935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).