4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol

C16H18N2O — CID 65244438

IUPAC4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
SMILESNC1CN(C(c2ccccc2)c2ccc(O)cc2)C1
InChIInChI=1S/C16H18N2O/c17-14-10-18(11-14)16(12-4-2-1-3-5-12)13-6-8-15(19)9-7-13/h1-9,14,16,19H,10-11,17H2
InChIKeyREFMIJMHAGQUIR-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.12
Rot. Bonds3

About 4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol

4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol (PubChem CID 65244438) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
PubChem CID65244438
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
SMILESNC1CN(C(c2ccccc2)c2ccc(O)cc2)C1
InChIInChI=1S/C16H18N2O/c17-14-10-18(11-14)16(12-4-2-1-3-5-12)13-6-8-15(19)9-7-13/h1-9,14,16,19H,10-11,17H2
InChIKeyREFMIJMHAGQUIR-UHFFFAOYSA-N
XLogP2.12
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol?
The IUPAC name of 4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol (CID 65244438) is 4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol.
What is the SMILES notation for 4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol?
The canonical SMILES for 4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol is NC1CN(C(c2ccccc2)c2ccc(O)cc2)C1.
What is the InChIKey of 4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol?
The InChIKey is REFMIJMHAGQUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-14-10-18(11-14)16(12-4-2-1-3-5-12)13-6-8-15(19)9-7-13/h1-9,14,16,19H,10-11,17H2.
What are the key properties of 4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol?
4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol has a molecular weight of 254.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol is sourced from PubChem (CID 65244438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).