N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline

C14H15ClN2 — CID 79255784

IUPACN-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline
SMILESCCN(Cc1cc(Cl)ccn1)c1ccccc1
InChIInChI=1S/C14H15ClN2/c1-2-17(14-6-4-3-5-7-14)11-13-10-12(15)8-9-16-13/h3-10H,2,11H2,1H3
InChIKeyRVTUMBDBXGUEQH-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.76
Rot. Bonds4

About N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline

N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline (PubChem CID 79255784) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline
PubChem CID79255784
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline
SMILESCCN(Cc1cc(Cl)ccn1)c1ccccc1
InChIInChI=1S/C14H15ClN2/c1-2-17(14-6-4-3-5-7-14)11-13-10-12(15)8-9-16-13/h3-10H,2,11H2,1H3
InChIKeyRVTUMBDBXGUEQH-UHFFFAOYSA-N
XLogP3.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline (CID 79255784) is N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline is CCN(Cc1cc(Cl)ccn1)c1ccccc1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline?
The InChIKey is RVTUMBDBXGUEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-2-17(14-6-4-3-5-7-14)11-13-10-12(15)8-9-16-13/h3-10H,2,11H2,1H3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline?
N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline has a molecular weight of 246.74 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline is sourced from PubChem (CID 79255784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).