[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine

C14H20N4 — CID 55148826

IUPAC[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
SMILESCN(Cc1ccccc1CN)Cc1nccn1C
InChIInChI=1S/C14H20N4/c1-17(11-14-16-7-8-18(14)2)10-13-6-4-3-5-12(13)9-15/h3-8H,9-11,15H2,1-2H3
InChIKeyMGQUCOKGTFEPGK-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.51
Rot. Bonds5

About [2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine

[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 55148826) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
PubChem CID55148826
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
SMILESCN(Cc1ccccc1CN)Cc1nccn1C
InChIInChI=1S/C14H20N4/c1-17(11-14-16-7-8-18(14)2)10-13-6-4-3-5-12(13)9-15/h3-8H,9-11,15H2,1-2H3
InChIKeyMGQUCOKGTFEPGK-UHFFFAOYSA-N
XLogP1.51
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 55150343
2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63795220
2-fluoro-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115558
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144419
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 112616300
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
CID 63025119
1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60696068
4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol
CID 63024735
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 104740060
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63027015

Frequently Asked Questions

What is the IUPAC name of [2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine (CID 55148826) is [2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine is CN(Cc1ccccc1CN)Cc1nccn1C.
What is the InChIKey of [2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is MGQUCOKGTFEPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17(11-14-16-7-8-18(14)2)10-13-6-4-3-5-12(13)9-15/h3-8H,9-11,15H2,1-2H3.
What are the key properties of [2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine?
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 55148826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).