5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline

C14H15ClN2 — CID 81275485

IUPAC5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
SMILESCCc1ccc(Cc2ccc(Cl)cc2N)nc1
InChIInChI=1S/C14H15ClN2/c1-2-10-3-6-13(17-9-10)7-11-4-5-12(15)8-14(11)16/h3-6,8-9H,2,7,16H2,1H3
InChIKeyHOLZJTOAABRTSQ-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.47
Rot. Bonds3

About 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline

5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline (PubChem CID 81275485) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
PubChem CID81275485
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
SMILESCCc1ccc(Cc2ccc(Cl)cc2N)nc1
InChIInChI=1S/C14H15ClN2/c1-2-10-3-6-13(17-9-10)7-11-4-5-12(15)8-14(11)16/h3-6,8-9H,2,7,16H2,1H3
InChIKeyHOLZJTOAABRTSQ-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline (CID 81275485) is 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline is CCc1ccc(Cc2ccc(Cl)cc2N)nc1.
What is the InChIKey of 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline?
The InChIKey is HOLZJTOAABRTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-2-10-3-6-13(17-9-10)7-11-4-5-12(15)8-14(11)16/h3-6,8-9H,2,7,16H2,1H3.
What are the key properties of 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline?
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline has a molecular weight of 246.74 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 81275485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).