3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline

C15H14Cl3N — CID 43106779

IUPAC3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C15H14Cl3N/c1-9-3-5-12(8-15(9)18)19-10(2)13-7-11(16)4-6-14(13)17/h3-8,10,19H,1-2H3
InChIKeyYFHOPBYFJVRJKC-UHFFFAOYSA-N
MW314.64 g/mol
LogP6.13
Rot. Bonds3

About 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline

3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline (PubChem CID 43106779) 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]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
PubChem CID43106779
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C15H14Cl3N/c1-9-3-5-12(8-15(9)18)19-10(2)13-7-11(16)4-6-14(13)17/h3-8,10,19H,1-2H3
InChIKeyYFHOPBYFJVRJKC-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

4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450910
N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
CID 43098941
N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
CID 43680270
N-[4-[1-(2,5-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43111675
3-[1-(2,5-dichlorophenyl)ethylamino]phenol
CID 43100532
1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43102736
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-4-methylaniline
CID 104651996

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline (CID 43106779) is 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline is Cc1ccc(NC(C)c2cc(Cl)ccc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline?
The InChIKey is YFHOPBYFJVRJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-9-3-5-12(8-15(9)18)19-10(2)13-7-11(16)4-6-14(13)17/h3-8,10,19H,1-2H3.
What are the key properties of 3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline?
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-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]-4-methylaniline is sourced from PubChem (CID 43106779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).