2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline

C16H17Cl2NO — CID 43772205

IUPAC2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
SMILESCOc1cc(C)ccc1C(C)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2NO/c1-10-7-8-12(15(9-10)20-3)11(2)19-14-6-4-5-13(17)16(14)18/h4-9,11,19H,1-3H3
InChIKeyLNICIEZPOBOTIL-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.48
Rot. Bonds4

About 2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline

2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline (PubChem CID 43772205) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
PubChem CID43772205
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
SMILESCOc1cc(C)ccc1C(C)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2NO/c1-10-7-8-12(15(9-10)20-3)11(2)19-14-6-4-5-13(17)16(14)18/h4-9,11,19H,1-3H3
InChIKeyLNICIEZPOBOTIL-UHFFFAOYSA-N
XLogP5.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43759088
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 104726578
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 43757713
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-nitroaniline
CID 43785497
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline?
The IUPAC name of 2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline (CID 43772205) is 2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline is COc1cc(C)ccc1C(C)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline?
The InChIKey is LNICIEZPOBOTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-7-8-12(15(9-10)20-3)11(2)19-14-6-4-5-13(17)16(14)18/h4-9,11,19H,1-3H3.
What are the key properties of 2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline?
2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline has a molecular weight of 310.22 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43772205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).