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

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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).