2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine

C16H17Cl3N2 — CID 63450910

IUPAC2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCC(Nc1ccc(N(C)C)c(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl3N2/c1-10(13-8-11(17)4-6-14(13)18)20-12-5-7-16(21(2)3)15(19)9-12/h4-10,20H,1-3H3
InChIKeyHOACQQZLCCQYPK-UHFFFAOYSA-N
MW343.69 g/mol
LogP5.89
Rot. Bonds4

About 2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine

2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 63450910) has the molecular formula C16H17Cl3N2 and a molecular weight of 343.69 g/mol. Its IUPAC name is 2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID63450910
Molecular FormulaC16H17Cl3N2
Molecular Weight343.69 g/mol
Exact Mass342.05
IUPAC Name2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCC(Nc1ccc(N(C)C)c(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl3N2/c1-10(13-8-11(17)4-6-14(13)18)20-12-5-7-16(21(2)3)15(19)9-12/h4-10,20H,1-3H3
InChIKeyHOACQQZLCCQYPK-UHFFFAOYSA-N
XLogP5.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.69
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
CID 43106779
2-chloro-4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451348
4-[1-[3-chloro-4-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 60935121
N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
CID 43098941
N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
CID 43680270
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
2-chloro-4-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450867
2-chloro-1-N,1-N-dimethyl-4-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 63450957
N-[4-[1-(2,5-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43111675
3-[1-(2,5-dichlorophenyl)ethylamino]phenol
CID 43100532
2-chloro-1-N,1-N-dimethyl-4-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine
CID 55032721
4-N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 107354291

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine (CID 63450910) is 2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine is CC(Nc1ccc(N(C)C)c(Cl)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is HOACQQZLCCQYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl3N2/c1-10(13-8-11(17)4-6-14(13)18)20-12-5-7-16(21(2)3)15(19)9-12/h4-10,20H,1-3H3.
What are the key properties of 2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine?
2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 343.69 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 63450910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).