3-ethyl-5-(methylamino)phenol

C9H13NO — CID 68559516

IUPAC3-ethyl-5-(methylamino)phenol
SMILESCCc1cc(O)cc(NC)c1
InChIInChI=1S/C9H13NO/c1-3-7-4-8(10-2)6-9(11)5-7/h4-6,10-11H,3H2,1-2H3
InChIKeyDNIRTCMCAVXFBJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.00
Rot. Bonds2

About 3-ethyl-5-(methylamino)phenol

3-ethyl-5-(methylamino)phenol (PubChem CID 68559516) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-ethyl-5-(methylamino)phenol.

Molecular Properties

Compound Name3-ethyl-5-(methylamino)phenol
PubChem CID68559516
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-ethyl-5-(methylamino)phenol
SMILESCCc1cc(O)cc(NC)c1
InChIInChI=1S/C9H13NO/c1-3-7-4-8(10-2)6-9(11)5-7/h4-6,10-11H,3H2,1-2H3
InChIKeyDNIRTCMCAVXFBJ-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(methylamino)phenol?
The IUPAC name of 3-ethyl-5-(methylamino)phenol (CID 68559516) is 3-ethyl-5-(methylamino)phenol.
What is the SMILES notation for 3-ethyl-5-(methylamino)phenol?
The canonical SMILES for 3-ethyl-5-(methylamino)phenol is CCc1cc(O)cc(NC)c1.
What is the InChIKey of 3-ethyl-5-(methylamino)phenol?
The InChIKey is DNIRTCMCAVXFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7-4-8(10-2)6-9(11)5-7/h4-6,10-11H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-(methylamino)phenol?
3-ethyl-5-(methylamino)phenol has a molecular weight of 151.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(methylamino)phenol is sourced from PubChem (CID 68559516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).