4-[4-amino-2-(diethylaminomethyl)phenyl]phenol

C17H22N2O — CID 174795462

IUPAC4-[4-amino-2-(diethylaminomethyl)phenyl]phenol
SMILESCCN(CC)Cc1cc(N)ccc1-c1ccc(O)cc1
InChIInChI=1S/C17H22N2O/c1-3-19(4-2)12-14-11-15(18)7-10-17(14)13-5-8-16(20)9-6-13/h5-11,20H,3-4,12,18H2,1-2H3
InChIKeyGOUKZLXXKUBWJY-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.48
Rot. Bonds5

About 4-[4-amino-2-(diethylaminomethyl)phenyl]phenol

4-[4-amino-2-(diethylaminomethyl)phenyl]phenol (PubChem CID 174795462) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[4-amino-2-(diethylaminomethyl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-amino-2-(diethylaminomethyl)phenyl]phenol
PubChem CID174795462
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[4-amino-2-(diethylaminomethyl)phenyl]phenol
SMILESCCN(CC)Cc1cc(N)ccc1-c1ccc(O)cc1
InChIInChI=1S/C17H22N2O/c1-3-19(4-2)12-14-11-15(18)7-10-17(14)13-5-8-16(20)9-6-13/h5-11,20H,3-4,12,18H2,1-2H3
InChIKeyGOUKZLXXKUBWJY-UHFFFAOYSA-N
XLogP3.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(diethylaminomethyl)phenyl]phenol?
The IUPAC name of 4-[4-amino-2-(diethylaminomethyl)phenyl]phenol (CID 174795462) is 4-[4-amino-2-(diethylaminomethyl)phenyl]phenol.
What is the SMILES notation for 4-[4-amino-2-(diethylaminomethyl)phenyl]phenol?
The canonical SMILES for 4-[4-amino-2-(diethylaminomethyl)phenyl]phenol is CCN(CC)Cc1cc(N)ccc1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-amino-2-(diethylaminomethyl)phenyl]phenol?
The InChIKey is GOUKZLXXKUBWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19(4-2)12-14-11-15(18)7-10-17(14)13-5-8-16(20)9-6-13/h5-11,20H,3-4,12,18H2,1-2H3.
What are the key properties of 4-[4-amino-2-(diethylaminomethyl)phenyl]phenol?
4-[4-amino-2-(diethylaminomethyl)phenyl]phenol has a molecular weight of 270.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(diethylaminomethyl)phenyl]phenol is sourced from PubChem (CID 174795462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).