3-[[4-(aminomethyl)oxan-4-yl]amino]phenol

C12H18N2O2 — CID 105479234

IUPAC3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
SMILESNCC1(Nc2cccc(O)c2)CCOCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(4-6-16-7-5-12)14-10-2-1-3-11(15)8-10/h1-3,8,14-15H,4-7,9,13H2
InChIKeyDUGJQGZJFNOEMF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds3

About 3-[[4-(aminomethyl)oxan-4-yl]amino]phenol

3-[[4-(aminomethyl)oxan-4-yl]amino]phenol (PubChem CID 105479234) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)oxan-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
PubChem CID105479234
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
SMILESNCC1(Nc2cccc(O)c2)CCOCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(4-6-16-7-5-12)14-10-2-1-3-11(15)8-10/h1-3,8,14-15H,4-7,9,13H2
InChIKeyDUGJQGZJFNOEMF-UHFFFAOYSA-N
XLogP1.31
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)oxan-4-yl]amino]phenol?
The IUPAC name of 3-[[4-(aminomethyl)oxan-4-yl]amino]phenol (CID 105479234) is 3-[[4-(aminomethyl)oxan-4-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(aminomethyl)oxan-4-yl]amino]phenol?
The canonical SMILES for 3-[[4-(aminomethyl)oxan-4-yl]amino]phenol is NCC1(Nc2cccc(O)c2)CCOCC1.
What is the InChIKey of 3-[[4-(aminomethyl)oxan-4-yl]amino]phenol?
The InChIKey is DUGJQGZJFNOEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-9-12(4-6-16-7-5-12)14-10-2-1-3-11(15)8-10/h1-3,8,14-15H,4-7,9,13H2.
What are the key properties of 3-[[4-(aminomethyl)oxan-4-yl]amino]phenol?
3-[[4-(aminomethyl)oxan-4-yl]amino]phenol has a molecular weight of 222.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)oxan-4-yl]amino]phenol is sourced from PubChem (CID 105479234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).