4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride

C22H32ClNO2 — CID 18986885

IUPAC4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride
SMILESCCCN(CCC)CCc1ccc(O)c(OCCc2ccccc2)c1.Cl
InChIInChI=1S/C22H31NO2.ClH/c1-3-14-23(15-4-2)16-12-20-10-11-21(24)22(18-20)25-17-13-19-8-6-5-7-9-19;/h5-11,18,24H,3-4,12-17H2,1-2H3;1H
InChIKeyBPWJITVWIMWTAR-UHFFFAOYSA-N
MW377.96 g/mol
LogP5.10
Rot. Bonds11

About 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride

4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride (PubChem CID 18986885) has the molecular formula C22H32ClNO2 and a molecular weight of 377.96 g/mol. Its IUPAC name is 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride
PubChem CID18986885
Molecular FormulaC22H32ClNO2
Molecular Weight377.96 g/mol
Exact Mass377.21
IUPAC Name4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride
SMILESCCCN(CCC)CCc1ccc(O)c(OCCc2ccccc2)c1.Cl
InChIInChI=1S/C22H31NO2.ClH/c1-3-14-23(15-4-2)16-12-20-10-11-21(24)22(18-20)25-17-13-19-8-6-5-7-9-19;/h5-11,18,24H,3-4,12-17H2,1-2H3;1H
InChIKeyBPWJITVWIMWTAR-UHFFFAOYSA-N
XLogP5.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.96
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride?
The IUPAC name of 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride (CID 18986885) is 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride.
What is the SMILES notation for 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride?
The canonical SMILES for 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride is CCCN(CCC)CCc1ccc(O)c(OCCc2ccccc2)c1.Cl.
What is the InChIKey of 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride?
The InChIKey is BPWJITVWIMWTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2.ClH/c1-3-14-23(15-4-2)16-12-20-10-11-21(24)22(18-20)25-17-13-19-8-6-5-7-9-19;/h5-11,18,24H,3-4,12-17H2,1-2H3;1H.
What are the key properties of 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride?
4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride has a molecular weight of 377.96 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride is sourced from PubChem (CID 18986885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).