3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline

C14H15ClN2O — CID 13376043

IUPAC3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline
SMILESCc1cccc(CCOc2ccc(N)cc2Cl)n1
InChIInChI=1S/C14H15ClN2O/c1-10-3-2-4-12(17-10)7-8-18-14-6-5-11(16)9-13(14)15/h2-6,9H,7-8,16H2,1H3
InChIKeyZCUACGQDHQPAFY-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.25
Rot. Bonds4

About 3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline

3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline (PubChem CID 13376043) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline.

Molecular Properties

Compound Name3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline
PubChem CID13376043
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline
SMILESCc1cccc(CCOc2ccc(N)cc2Cl)n1
InChIInChI=1S/C14H15ClN2O/c1-10-3-2-4-12(17-10)7-8-18-14-6-5-11(16)9-13(14)15/h2-6,9H,7-8,16H2,1H3
InChIKeyZCUACGQDHQPAFY-UHFFFAOYSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
CID 154993538
3-chloro-4-[(6-methyl-2-pyridinyl)methylsulfonyl]aniline
CID 81181655
1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79260536
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
3-chloro-4-nonoxyaniline
CID 43129005
3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 79267100
3-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587104
3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
CID 29006391
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline
CID 68883487
3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline
CID 63589176

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline?
The IUPAC name of 3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline (CID 13376043) is 3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline.
What is the SMILES notation for 3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline?
The canonical SMILES for 3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline is Cc1cccc(CCOc2ccc(N)cc2Cl)n1.
What is the InChIKey of 3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline?
The InChIKey is ZCUACGQDHQPAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-3-2-4-12(17-10)7-8-18-14-6-5-11(16)9-13(14)15/h2-6,9H,7-8,16H2,1H3.
What are the key properties of 3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline?
3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline has a molecular weight of 262.74 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(6-methyl-2-pyridinyl)ethoxy]aniline is sourced from PubChem (CID 13376043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).