N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine

C14H17N3 — CID 165476027

IUPACN-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2nccn2C2CC2)cc1
InChIInChI=1S/C14H17N3/c1-2-4-12(5-3-1)10-15-11-14-16-8-9-17(14)13-6-7-13/h1-5,8-9,13,15H,6-7,10-11H2
InChIKeyGNTKYIYBJNNERK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.51
Rot. Bonds5

About N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine

N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine (PubChem CID 165476027) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine
PubChem CID165476027
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2nccn2C2CC2)cc1
InChIInChI=1S/C14H17N3/c1-2-4-12(5-3-1)10-15-11-14-16-8-9-17(14)13-6-7-13/h1-5,8-9,13,15H,6-7,10-11H2
InChIKeyGNTKYIYBJNNERK-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-cyclopropylimidazol-2-amine
CID 106555906
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole
CID 67927146
N-[(1-cyclopropylimidazol-2-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine
CID 138022870
[1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 136569136
1-cyclopropyl-2-(2,2-dimethylpropyl)imidazole
CID 138748973
3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one
CID 63759970
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-[(1-cyclopropylimidazol-2-yl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 91841929
2-ethyl-1-(4-methylcyclohexyl)imidazole
CID 64776318
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
N-benzyl-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyrimidin-2-amine;formic acid
CID 171325246

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine (CID 165476027) is N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine is c1ccc(CNCc2nccn2C2CC2)cc1.
What is the InChIKey of N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is GNTKYIYBJNNERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-4-12(5-3-1)10-15-11-14-16-8-9-17(14)13-6-7-13/h1-5,8-9,13,15H,6-7,10-11H2.
What are the key properties of N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine?
N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 165476027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).