3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline

C15H14Cl3N — CID 43095344

IUPAC3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3N/c1-9-13(17)4-3-5-15(9)19-10(2)12-8-11(16)6-7-14(12)18/h3-8,10,19H,1-2H3
InChIKeyIDKGWJCUDPRGRG-UHFFFAOYSA-N
MW314.64 g/mol
LogP6.13
Rot. Bonds3

About 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline

3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline (PubChem CID 43095344) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
PubChem CID43095344
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3N/c1-9-13(17)4-3-5-15(9)19-10(2)12-8-11(16)6-7-14(12)18/h3-8,10,19H,1-2H3
InChIKeyIDKGWJCUDPRGRG-UHFFFAOYSA-N
XLogP6.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271
N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43103861
3-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylaniline
CID 43545032
4-chloro-2-[1-(2,3-dimethylanilino)ethyl]phenol
CID 2947511
2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid
CID 43322111
5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
CID 63478769
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
3-chloro-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43098144
N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721804
3-[1-(2,5-dichlorophenyl)ethylamino]phenol
CID 43100532
N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
CID 43098941

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline (CID 43095344) is 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline is Cc1c(Cl)cccc1NC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline?
The InChIKey is IDKGWJCUDPRGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-9-13(17)4-3-5-15(9)19-10(2)12-8-11(16)6-7-14(12)18/h3-8,10,19H,1-2H3.
What are the key properties of 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline?
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline has a molecular weight of 314.64 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 43095344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).