3-[2-(dipropylamino)ethyl]phenol;hydrobromide

C14H24BrNO — CID 3049325

IUPAC3-[2-(dipropylamino)ethyl]phenol;hydrobromide
SMILESBr.CCCN(CCC)CCc1cccc(O)c1
InChIInChI=1S/C14H23NO.BrH/c1-3-9-15(10-4-2)11-8-13-6-5-7-14(16)12-13;/h5-7,12,16H,3-4,8-11H2,1-2H3;1H
InChIKeyKUEBTNOIRGMQAG-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.63
Rot. Bonds7

About 3-[2-(dipropylamino)ethyl]phenol;hydrobromide

3-[2-(dipropylamino)ethyl]phenol;hydrobromide (PubChem CID 3049325) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is 3-[2-(dipropylamino)ethyl]phenol;hydrobromide.

Molecular Properties

Compound Name3-[2-(dipropylamino)ethyl]phenol;hydrobromide
PubChem CID3049325
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC Name3-[2-(dipropylamino)ethyl]phenol;hydrobromide
SMILESBr.CCCN(CCC)CCc1cccc(O)c1
InChIInChI=1S/C14H23NO.BrH/c1-3-9-15(10-4-2)11-8-13-6-5-7-14(16)12-13;/h5-7,12,16H,3-4,8-11H2,1-2H3;1H
InChIKeyKUEBTNOIRGMQAG-UHFFFAOYSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dipropylamino)ethyl]phenol;hydrobromide?
The IUPAC name of 3-[2-(dipropylamino)ethyl]phenol;hydrobromide (CID 3049325) is 3-[2-(dipropylamino)ethyl]phenol;hydrobromide.
What is the SMILES notation for 3-[2-(dipropylamino)ethyl]phenol;hydrobromide?
The canonical SMILES for 3-[2-(dipropylamino)ethyl]phenol;hydrobromide is Br.CCCN(CCC)CCc1cccc(O)c1.
What is the InChIKey of 3-[2-(dipropylamino)ethyl]phenol;hydrobromide?
The InChIKey is KUEBTNOIRGMQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.BrH/c1-3-9-15(10-4-2)11-8-13-6-5-7-14(16)12-13;/h5-7,12,16H,3-4,8-11H2,1-2H3;1H.
What are the key properties of 3-[2-(dipropylamino)ethyl]phenol;hydrobromide?
3-[2-(dipropylamino)ethyl]phenol;hydrobromide has a molecular weight of 302.26 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dipropylamino)ethyl]phenol;hydrobromide is sourced from PubChem (CID 3049325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).