2-[(dimethylamino)methyl]aniline

C9H14N2 — CID 12586115

IUPAC2-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccccc1N
InChIInChI=1S/C9H14N2/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7,10H2,1-2H3
InChIKeyXQWHZHODENELCJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.33
Rot. Bonds2

About 2-[(dimethylamino)methyl]aniline

2-[(dimethylamino)methyl]aniline (PubChem CID 12586115) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]aniline
PubChem CID12586115
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccccc1N
InChIInChI=1S/C9H14N2/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7,10H2,1-2H3
InChIKeyXQWHZHODENELCJ-UHFFFAOYSA-N
XLogP1.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.33
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 2-[(dimethylamino)methyl]aniline?
The IUPAC name of 2-[(dimethylamino)methyl]aniline (CID 12586115) is 2-[(dimethylamino)methyl]aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]aniline is CN(C)Cc1ccccc1N.
What is the InChIKey of 2-[(dimethylamino)methyl]aniline?
The InChIKey is XQWHZHODENELCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7,10H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]aniline?
2-[(dimethylamino)methyl]aniline has a molecular weight of 150.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 12586115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).