3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline

C15H15Cl2NO — CID 43108106

IUPAC3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(C(C)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(11-4-3-5-13(8-11)19-2)18-12-6-7-14(16)15(17)9-12/h3-10,18H,1-2H3
InChIKeyHVRDGIPPHKEASI-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.18
Rot. Bonds4

About 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline

3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline (PubChem CID 43108106) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
PubChem CID43108106
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(C(C)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(11-4-3-5-13(8-11)19-2)18-12-6-7-14(16)15(17)9-12/h3-10,18H,1-2H3
InChIKeyHVRDGIPPHKEASI-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-chloro-5-[1-(3-methoxyphenyl)ethylamino]benzonitrile
CID 43686946
2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide
CID 43736525
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687855
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616993
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline?
The IUPAC name of 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline (CID 43108106) is 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline is COc1cccc(C(C)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline?
The InChIKey is HVRDGIPPHKEASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(11-4-3-5-13(8-11)19-2)18-12-6-7-14(16)15(17)9-12/h3-10,18H,1-2H3.
What are the key properties of 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline?
3,4-dichloro-N-[1-(3-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 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43108106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).