3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine

C15H17ClN2 — CID 60701697

IUPAC3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
SMILESCCc1ccc(C(C)Nc2ncccc2Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-3-12-6-8-13(9-7-12)11(2)18-15-14(16)5-4-10-17-15/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyMZKDNZHHBZPEBG-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.47
Rot. Bonds4

About 3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine

3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine (PubChem CID 60701697) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
PubChem CID60701697
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
SMILESCCc1ccc(C(C)Nc2ncccc2Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-3-12-6-8-13(9-7-12)11(2)18-15-14(16)5-4-10-17-15/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyMZKDNZHHBZPEBG-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3-methoxypyridin-2-amine
CID 115923091
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
[(3-chloro-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine
CID 103445949
3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282806
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 106193534
1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one
CID 62939685
6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 106193555
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
CID 60701648
2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
CID 17326874
3-chloro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 56855843
3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
CID 115689385

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine (CID 60701697) is 3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine is CCc1ccc(C(C)Nc2ncccc2Cl)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine?
The InChIKey is MZKDNZHHBZPEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-3-12-6-8-13(9-7-12)11(2)18-15-14(16)5-4-10-17-15/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine?
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine has a molecular weight of 260.77 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 60701697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).