4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine

C13H13Cl2N3 — CID 81492517

IUPAC4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine
SMILESNc1cc(CC(N)c2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C13H13Cl2N3/c14-10-2-1-9(7-11(10)15)12(16)5-8-3-4-18-13(17)6-8/h1-4,6-7,12H,5,16H2,(H2,17,18)
InChIKeyWXMGNGCKIMGAGM-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.21
Rot. Bonds3

About 4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine

4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine (PubChem CID 81492517) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine
PubChem CID81492517
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine
SMILESNc1cc(CC(N)c2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C13H13Cl2N3/c14-10-2-1-9(7-11(10)15)12(16)5-8-3-4-18-13(17)6-8/h1-4,6-7,12H,5,16H2,(H2,17,18)
InChIKeyWXMGNGCKIMGAGM-UHFFFAOYSA-N
XLogP3.21
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411
4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 65363413
1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55139269
4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62466575
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447248
4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105136553
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine
CID 66146419

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine (CID 81492517) is 4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine is Nc1cc(CC(N)c2ccc(Cl)c(Cl)c2)ccn1.
What is the InChIKey of 4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine?
The InChIKey is WXMGNGCKIMGAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c14-10-2-1-9(7-11(10)15)12(16)5-8-3-4-18-13(17)6-8/h1-4,6-7,12H,5,16H2,(H2,17,18).
What are the key properties of 4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine?
4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine has a molecular weight of 282.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 81492517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).