2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

C13H17ClN4 — CID 55181751

IUPAC2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCN(Cc1nccn1C)c1cc(Cl)ccc1CN
InChIInChI=1S/C13H17ClN4/c1-17-6-5-16-13(17)9-18(2)12-7-11(14)4-3-10(12)8-15/h3-7H,8-9,15H2,1-2H3
InChIKeyPLYDAVONMXKGPI-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.17
Rot. Bonds4

About 2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 55181751) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID55181751
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCN(Cc1nccn1C)c1cc(Cl)ccc1CN
InChIInChI=1S/C13H17ClN4/c1-17-6-5-16-13(17)9-18(2)12-7-11(14)4-3-10(12)8-15/h3-7H,8-9,15H2,1-2H3
InChIKeyPLYDAVONMXKGPI-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 55181751) is 2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is CN(Cc1nccn1C)c1cc(Cl)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is PLYDAVONMXKGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-17-6-5-16-13(17)9-18(2)12-7-11(14)4-3-10(12)8-15/h3-7H,8-9,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 264.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 55181751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).