N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline

C16H19ClN2 — CID 166201286

IUPACN-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline
SMILESCCCc1ccc(NC(C)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2/c1-3-4-13-5-7-15(8-6-13)19-12(2)14-9-10-18-16(17)11-14/h5-12,19H,3-4H2,1-2H3
InChIKeyOMVHNVARBABOPB-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.86
Rot. Bonds5

About N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline

N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline (PubChem CID 166201286) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline.

Molecular Properties

Compound NameN-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline
PubChem CID166201286
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline
SMILESCCCc1ccc(NC(C)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2/c1-3-4-13-5-7-15(8-6-13)19-12(2)14-9-10-18-16(17)11-14/h5-12,19H,3-4H2,1-2H3
InChIKeyOMVHNVARBABOPB-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline?
The IUPAC name of N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline (CID 166201286) is N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline.
What is the SMILES notation for N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline?
The canonical SMILES for N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline is CCCc1ccc(NC(C)c2ccnc(Cl)c2)cc1.
What is the InChIKey of N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline?
The InChIKey is OMVHNVARBABOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-4-13-5-7-15(8-6-13)19-12(2)14-9-10-18-16(17)11-14/h5-12,19H,3-4H2,1-2H3.
What are the key properties of N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline?
N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline has a molecular weight of 274.80 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline is sourced from PubChem (CID 166201286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).