N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline

C15H15Cl2NO — CID 43100398

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
SMILESCOc1ccccc1NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(11-7-8-12(16)13(17)9-11)18-14-5-3-4-6-15(14)19-2/h3-10,18H,1-2H3
InChIKeyNGDYYOQQOVYXRV-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.18
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline

N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline (PubChem CID 43100398) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
PubChem CID43100398
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
SMILESCOc1ccccc1NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(11-7-8-12(16)13(17)9-11)18-14-5-3-4-6-15(14)19-2/h3-10,18H,1-2H3
InChIKeyNGDYYOQQOVYXRV-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

1-(3,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388533
N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline
CID 43757793
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
2-methoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 43110062
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357
2-[1-(3,4-dichlorophenyl)ethylamino]benzoic acid
CID 43139536
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107527068
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
CID 43757843
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline (CID 43100398) is N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline is COc1ccccc1NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline?
The InChIKey is NGDYYOQQOVYXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(11-7-8-12(16)13(17)9-11)18-14-5-3-4-6-15(14)19-2/h3-10,18H,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline?
N-[1-(3,4-dichlorophenyl)ethyl]-2-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 N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline is sourced from PubChem (CID 43100398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).