[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine

C13H17N3 — CID 62350541

IUPAC[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine
SMILESCc1ncn(Cc2cccc(CN)c2)c1C
InChIInChI=1S/C13H17N3/c1-10-11(2)16(9-15-10)8-13-5-3-4-12(6-13)7-14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyCDWJUXLPUIHSNP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.01
Rot. Bonds3

About [3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine

[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine (PubChem CID 62350541) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine
PubChem CID62350541
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine
SMILESCc1ncn(Cc2cccc(CN)c2)c1C
InChIInChI=1S/C13H17N3/c1-10-11(2)16(9-15-10)8-13-5-3-4-12(6-13)7-14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyCDWJUXLPUIHSNP-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
3-[(4,5-dimethylimidazol-1-yl)methyl]benzenecarbothioamide
CID 62351814
1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
CID 115641222
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
CID 115648480
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
CID 63172505
4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
CID 116621780
3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62466356
5-[(4,5-dimethylimidazol-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 114012086
1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole
CID 14402688
1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one
CID 80579479

Frequently Asked Questions

What is the IUPAC name of [3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine (CID 62350541) is [3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine is Cc1ncn(Cc2cccc(CN)c2)c1C.
What is the InChIKey of [3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is CDWJUXLPUIHSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-11(2)16(9-15-10)8-13-5-3-4-12(6-13)7-14/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of [3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine?
[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 62350541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).