N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine

C13H13Cl2N3 — CID 60870788

IUPACN-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine
SMILESCC(Nc1ncc(Cl)cc1Cl)c1cccc(N)c1
InChIInChI=1S/C13H13Cl2N3/c1-8(9-3-2-4-11(16)5-9)18-13-12(15)6-10(14)7-17-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyPUFYSTDLNRAETE-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.14
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine

N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine (PubChem CID 60870788) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine
PubChem CID60870788
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine
SMILESCC(Nc1ncc(Cl)cc1Cl)c1cccc(N)c1
InChIInChI=1S/C13H13Cl2N3/c1-8(9-3-2-4-11(16)5-9)18-13-12(15)6-10(14)7-17-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyPUFYSTDLNRAETE-UHFFFAOYSA-N
XLogP4.14
TPSA50.94 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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 43395999
3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
CID 79728788
N-[1-(3-aminophenyl)ethyl]-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106796671
N-[1-(3-aminophenyl)ethyl]pyridin-2-amine
CID 60869070
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-nitropyridin-2-amine
CID 116650583
N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386117
4-[1-(3-aminophenyl)ethylamino]-3-chlorobenzonitrile
CID 63092617
2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 62475884
3-chloro-2-N-propan-2-ylpyridine-2,5-diamine
CID 82468511

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine (CID 60870788) is N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine is CC(Nc1ncc(Cl)cc1Cl)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine?
The InChIKey is PUFYSTDLNRAETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-8(9-3-2-4-11(16)5-9)18-13-12(15)6-10(14)7-17-13/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine?
N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine has a molecular weight of 282.17 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine is sourced from PubChem (CID 60870788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).