3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline

C13H12Cl2N2 — CID 63265162

IUPAC3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
SMILESClc1ccc(NCCc2cccnc2)cc1Cl
InChIInChI=1S/C13H12Cl2N2/c14-12-4-3-11(8-13(12)15)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9,17H,5,7H2
InChIKeyCJEPESLKLAZDCT-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.04
Rot. Bonds4

About 3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline

3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline (PubChem CID 63265162) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
PubChem CID63265162
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
SMILESClc1ccc(NCCc2cccnc2)cc1Cl
InChIInChI=1S/C13H12Cl2N2/c14-12-4-3-11(8-13(12)15)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9,17H,5,7H2
InChIKeyCJEPESLKLAZDCT-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
2-chloro-4-(2-pyridin-3-ylethylamino)benzenecarbothioamide
CID 62948957
3-bromo-4-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 114262038
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530
2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
CID 63265079
3-ethynyl-N-(2-pyridin-3-ylethyl)aniline
CID 55168441
4-bromo-3-methoxy-N-(2-pyridin-3-ylethyl)aniline
CID 82868442
4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
2-fluoro-4-(2-pyridin-3-ylethylamino)benzenecarbothioamide
CID 115367976
2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
CID 63265128
2,6-dichloro-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 59258790

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline?
The IUPAC name of 3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline (CID 63265162) is 3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline?
The canonical SMILES for 3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline is Clc1ccc(NCCc2cccnc2)cc1Cl.
What is the InChIKey of 3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline?
The InChIKey is CJEPESLKLAZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-12-4-3-11(8-13(12)15)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9,17H,5,7H2.
What are the key properties of 3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline?
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline has a molecular weight of 267.16 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 63265162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).