1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine

C14H14Cl2N2 — CID 107308540

IUPAC1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine
SMILESNC(Cc1cccnc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2/c15-13-5-1-4-11(14(13)16)8-12(17)7-10-3-2-6-18-9-10/h1-6,9,12H,7-8,17H2
InChIKeyUXATVANHERLPMW-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.50
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine

1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine (PubChem CID 107308540) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine
PubChem CID107308540
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine
SMILESNC(Cc1cccnc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2/c15-13-5-1-4-11(14(13)16)8-12(17)7-10-3-2-6-18-9-10/h1-6,9,12H,7-8,17H2
InChIKeyUXATVANHERLPMW-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 107308542
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
CID 103443598
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
CID 104736235
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736345
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine (CID 107308540) is 1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine is NC(Cc1cccnc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine?
The InChIKey is UXATVANHERLPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-13-5-1-4-11(14(13)16)8-12(17)7-10-3-2-6-18-9-10/h1-6,9,12H,7-8,17H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine?
1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine has a molecular weight of 281.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 107308540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).