N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine

C12H16N4 — CID 62133080

IUPACN-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine
SMILESCn1ccnc1NCc1cccc(CN)c1
InChIInChI=1S/C12H16N4/c1-16-6-5-14-12(16)15-9-11-4-2-3-10(7-11)8-13/h2-7H,8-9,13H2,1H3,(H,14,15)
InChIKeyLVHBWEKHDPQYRU-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.49
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine

N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine (PubChem CID 62133080) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine
PubChem CID62133080
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine
SMILESCn1ccnc1NCc1cccc(CN)c1
InChIInChI=1S/C12H16N4/c1-16-6-5-14-12(16)15-9-11-4-2-3-10(7-11)8-13/h2-7H,8-9,13H2,1H3,(H,14,15)
InChIKeyLVHBWEKHDPQYRU-UHFFFAOYSA-N
XLogP1.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol
CID 63312168
N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104729869
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride
CID 76853743
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 43530165
N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 60870847
N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478
1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 130935235
N-[[3-(aminomethyl)phenyl]methyl]-5-iodopyrimidin-2-amine
CID 116648248
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-amine
CID 62133823
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
N-(3-ethylphenyl)-1-methylimidazol-2-amine
CID 106559848

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine (CID 62133080) is N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine is Cn1ccnc1NCc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine?
The InChIKey is LVHBWEKHDPQYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-6-5-14-12(16)15-9-11-4-2-3-10(7-11)8-13/h2-7H,8-9,13H2,1H3,(H,14,15).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine?
N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 62133080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).