4-chloro-2-(pyridin-2-ylmethyl)aniline

C12H11ClN2 — CID 14005180

IUPAC4-chloro-2-(pyridin-2-ylmethyl)aniline
SMILESNc1ccc(Cl)cc1Cc1ccccn1
InChIInChI=1S/C12H11ClN2/c13-10-4-5-12(14)9(7-10)8-11-3-1-2-6-15-11/h1-7H,8,14H2
InChIKeyTVYGFSKSORKYSF-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.91
Rot. Bonds2

About 4-chloro-2-(pyridin-2-ylmethyl)aniline

4-chloro-2-(pyridin-2-ylmethyl)aniline (PubChem CID 14005180) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-chloro-2-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(pyridin-2-ylmethyl)aniline
PubChem CID14005180
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-chloro-2-(pyridin-2-ylmethyl)aniline
SMILESNc1ccc(Cl)cc1Cc1ccccn1
InChIInChI=1S/C12H11ClN2/c13-10-4-5-12(14)9(7-10)8-11-3-1-2-6-15-11/h1-7H,8,14H2
InChIKeyTVYGFSKSORKYSF-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-chloro-2-(pyridin-2-ylmethyl)phenyl]methanamine
CID 66161310
2-[(5-chloro-2-nitrophenyl)methyl]pyridine
CID 67148374
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol
CID 175372198
4-chloro-2-[(2-methylphenyl)methyl]aniline
CID 105490375
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
3-fluoro-4-(pyridin-2-ylmethyl)aniline
CID 54086416
4-chloro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 28902081
4-chloro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
CID 79557493
[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 113277219
4-chloro-2-[(2-methoxyphenyl)methyl]aniline
CID 68567469
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-chloro-2-(pyridin-2-ylmethyl)aniline (CID 14005180) is 4-chloro-2-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-2-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-chloro-2-(pyridin-2-ylmethyl)aniline is Nc1ccc(Cl)cc1Cc1ccccn1.
What is the InChIKey of 4-chloro-2-(pyridin-2-ylmethyl)aniline?
The InChIKey is TVYGFSKSORKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-4-5-12(14)9(7-10)8-11-3-1-2-6-15-11/h1-7H,8,14H2.
What are the key properties of 4-chloro-2-(pyridin-2-ylmethyl)aniline?
4-chloro-2-(pyridin-2-ylmethyl)aniline has a molecular weight of 218.69 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 14005180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).