2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline

C14H16ClN3 — CID 43564662

IUPAC2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Cl)c(N)c1)Cc1ccccn1
InChIInChI=1S/C14H16ClN3/c1-18(10-12-4-2-3-7-17-12)9-11-5-6-13(15)14(16)8-11/h2-8H,9-10,16H2,1H3
InChIKeyQDTAYFYTJUEKGG-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.95
Rot. Bonds4

About 2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline

2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline (PubChem CID 43564662) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
PubChem CID43564662
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Cl)c(N)c1)Cc1ccccn1
InChIInChI=1S/C14H16ClN3/c1-18(10-12-4-2-3-7-17-12)9-11-5-6-13(15)14(16)8-11/h2-8H,9-10,16H2,1H3
InChIKeyQDTAYFYTJUEKGG-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline (CID 43564662) is 2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline is CN(Cc1ccc(Cl)c(N)c1)Cc1ccccn1.
What is the InChIKey of 2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
The InChIKey is QDTAYFYTJUEKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-18(10-12-4-2-3-7-17-12)9-11-5-6-13(15)14(16)8-11/h2-8H,9-10,16H2,1H3.
What are the key properties of 2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline has a molecular weight of 261.76 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43564662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).