3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol

C16H20N2O — CID 43771050

IUPAC3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
SMILESCc1cc(C)c(C(C)Nc2cccc(O)c2)c(C)n1
InChIInChI=1S/C16H20N2O/c1-10-8-11(2)17-12(3)16(10)13(4)18-14-6-5-7-15(19)9-14/h5-9,13,18-19H,1-4H3
InChIKeyDLADVHIUYXJNLJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.89
Rot. Bonds3

About 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol

3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol (PubChem CID 43771050) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol.

Molecular Properties

Compound Name3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
PubChem CID43771050
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
SMILESCc1cc(C)c(C(C)Nc2cccc(O)c2)c(C)n1
InChIInChI=1S/C16H20N2O/c1-10-8-11(2)17-12(3)16(10)13(4)18-14-6-5-7-15(19)9-14/h5-9,13,18-19H,1-4H3
InChIKeyDLADVHIUYXJNLJ-UHFFFAOYSA-N
XLogP3.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 60935217
4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43760599
2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
CID 107679467
2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
CID 43786451
3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43765047
2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43772215
3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65191851
N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43784897
3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982
2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43763919
(1R)-1-(2,4,6-trimethyl-3-pyridinyl)ethanol
CID 63365086

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol?
The IUPAC name of 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol (CID 43771050) is 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol.
What is the SMILES notation for 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol?
The canonical SMILES for 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol is Cc1cc(C)c(C(C)Nc2cccc(O)c2)c(C)n1.
What is the InChIKey of 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol?
The InChIKey is DLADVHIUYXJNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-8-11(2)17-12(3)16(10)13(4)18-14-6-5-7-15(19)9-14/h5-9,13,18-19H,1-4H3.
What are the key properties of 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol?
3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol has a molecular weight of 256.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol is sourced from PubChem (CID 43771050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).