N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine

C20H21N3O — CID 167778274

IUPACN-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine
SMILESc1ccc(Oc2ccccc2CNCc2cn(C3CC3)cn2)cc1
InChIInChI=1S/C20H21N3O/c1-2-7-19(8-3-1)24-20-9-5-4-6-16(20)12-21-13-17-14-23(15-22-17)18-10-11-18/h1-9,14-15,18,21H,10-13H2
InChIKeyGTDVQLOTKCIJIB-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.30
Rot. Bonds7

About N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine

N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine (PubChem CID 167778274) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine
PubChem CID167778274
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine
SMILESc1ccc(Oc2ccccc2CNCc2cn(C3CC3)cn2)cc1
InChIInChI=1S/C20H21N3O/c1-2-7-19(8-3-1)24-20-9-5-4-6-16(20)12-21-13-17-14-23(15-22-17)18-10-11-18/h1-9,14-15,18,21H,10-13H2
InChIKeyGTDVQLOTKCIJIB-UHFFFAOYSA-N
XLogP4.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine?
The IUPAC name of N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine (CID 167778274) is N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine.
What is the SMILES notation for N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine?
The canonical SMILES for N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine is c1ccc(Oc2ccccc2CNCc2cn(C3CC3)cn2)cc1.
What is the InChIKey of N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine?
The InChIKey is GTDVQLOTKCIJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-7-19(8-3-1)24-20-9-5-4-6-16(20)12-21-13-17-14-23(15-22-17)18-10-11-18/h1-9,14-15,18,21H,10-13H2.
What are the key properties of N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine?
N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine has a molecular weight of 319.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylimidazol-4-yl)methyl]-1-(2-phenoxyphenyl)methanamine is sourced from PubChem (CID 167778274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).