4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol

C14H23NO — CID 3053273

IUPAC4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol
SMILESCCC(C)c1ccc(O)c(CCN(C)C)c1
InChIInChI=1S/C14H23NO/c1-5-11(2)12-6-7-14(16)13(10-12)8-9-15(3)4/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyMTJOZEKFPWZGCS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.01
Rot. Bonds5

About 4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol

4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol (PubChem CID 3053273) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol
PubChem CID3053273
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol
SMILESCCC(C)c1ccc(O)c(CCN(C)C)c1
InChIInChI=1S/C14H23NO/c1-5-11(2)12-6-7-14(16)13(10-12)8-9-15(3)4/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyMTJOZEKFPWZGCS-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol?
The IUPAC name of 4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol (CID 3053273) is 4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol.
What is the SMILES notation for 4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol?
The canonical SMILES for 4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol is CCC(C)c1ccc(O)c(CCN(C)C)c1.
What is the InChIKey of 4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol?
The InChIKey is MTJOZEKFPWZGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(2)12-6-7-14(16)13(10-12)8-9-15(3)4/h6-7,10-11,16H,5,8-9H2,1-4H3.
What are the key properties of 4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol?
4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-[2-(dimethylamino)ethyl]phenol is sourced from PubChem (CID 3053273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).