4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol

C14H17N3O — CID 114331505

IUPAC4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2cncn2C2CC2)cc1
InChIInChI=1S/C14H17N3O/c18-14-5-1-11(2-6-14)7-15-8-13-9-16-10-17(13)12-3-4-12/h1-2,5-6,9-10,12,15,18H,3-4,7-8H2
InChIKeyYILMONUFBOMNFY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.21
Rot. Bonds5

About 4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol

4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol (PubChem CID 114331505) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol
PubChem CID114331505
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2cncn2C2CC2)cc1
InChIInChI=1S/C14H17N3O/c18-14-5-1-11(2-6-14)7-15-8-13-9-16-10-17(13)12-3-4-12/h1-2,5-6,9-10,12,15,18H,3-4,7-8H2
InChIKeyYILMONUFBOMNFY-UHFFFAOYSA-N
XLogP2.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol (CID 114331505) is 4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol is Oc1ccc(CNCc2cncn2C2CC2)cc1.
What is the InChIKey of 4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol?
The InChIKey is YILMONUFBOMNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14-5-1-11(2-6-14)7-15-8-13-9-16-10-17(13)12-3-4-12/h1-2,5-6,9-10,12,15,18H,3-4,7-8H2.
What are the key properties of 4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol?
4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 114331505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).