1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine

C13H11Cl3N2 — CID 103443990

IUPAC1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1ncccc1Cl
InChIInChI=1S/C13H11Cl3N2/c14-9-4-3-8(6-11(9)16)7-12(17)13-10(15)2-1-5-18-13/h1-6,12H,7,17H2
InChIKeyLVFOONUDKBUXBX-UHFFFAOYSA-N
MW301.60 g/mol
LogP4.28
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine

1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine (PubChem CID 103443990) has the molecular formula C13H11Cl3N2 and a molecular weight of 301.60 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
PubChem CID103443990
Molecular FormulaC13H11Cl3N2
Molecular Weight301.60 g/mol
Exact Mass300.00
IUPAC Name1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1ncccc1Cl
InChIInChI=1S/C13H11Cl3N2/c14-9-4-3-8(6-11(9)16)7-12(17)13-10(15)2-1-5-18-13/h1-6,12H,7,17H2
InChIKeyLVFOONUDKBUXBX-UHFFFAOYSA-N
XLogP4.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 103443973
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103443743
2-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 107884392
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]pyrimidine
CID 114552967
2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine
CID 63044768
1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55139269
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
CID 103443569
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732781
1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81454060

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine (CID 103443990) is 1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine is NC(Cc1ccc(Cl)c(Cl)c1)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine?
The InChIKey is LVFOONUDKBUXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2/c14-9-4-3-8(6-11(9)16)7-12(17)13-10(15)2-1-5-18-13/h1-6,12H,7,17H2.
What are the key properties of 1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine?
1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine has a molecular weight of 301.60 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 103443990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).