2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline

C13H18N4 — CID 62762471

IUPAC2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
SMILESCN(C)Cc1ccccc1NCc1cnc[nH]1
InChIInChI=1S/C13H18N4/c1-17(2)9-11-5-3-4-6-13(11)15-8-12-7-14-10-16-12/h3-7,10,15H,8-9H2,1-2H3,(H,14,16)
InChIKeyHVHGAHOAUWMUOH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.08
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline

2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline (PubChem CID 62762471) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
PubChem CID62762471
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
SMILESCN(C)Cc1ccccc1NCc1cnc[nH]1
InChIInChI=1S/C13H18N4/c1-17(2)9-11-5-3-4-6-13(11)15-8-12-7-14-10-16-12/h3-7,10,15H,8-9H2,1-2H3,(H,14,16)
InChIKeyHVHGAHOAUWMUOH-UHFFFAOYSA-N
XLogP2.08
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264
2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178302
N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 59728068
1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 63000716
N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43750094
3-[2-(1H-imidazol-5-ylmethylamino)phenyl]prop-2-enoic acid;dihydrochloride
CID 67780041
2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole
CID 175322910
4-[[2-[(dimethylamino)methyl]anilino]methyl]benzene-1,2,3-triol
CID 107730732
2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936614

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline (CID 62762471) is 2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline is CN(C)Cc1ccccc1NCc1cnc[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline?
The InChIKey is HVHGAHOAUWMUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17(2)9-11-5-3-4-6-13(11)15-8-12-7-14-10-16-12/h3-7,10,15H,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline?
2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline has a molecular weight of 230.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline is sourced from PubChem (CID 62762471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).