5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride

C22H32ClNO2 — CID 18986869

IUPAC5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride
SMILESCCCN(CCC)CCc1ccc(OCCc2ccccc2)c(O)c1.Cl
InChIInChI=1S/C22H31NO2.ClH/c1-3-14-23(15-4-2)16-12-20-10-11-22(21(24)18-20)25-17-13-19-8-6-5-7-9-19;/h5-11,18,24H,3-4,12-17H2,1-2H3;1H
InChIKeyJJTNRONNGSDMES-UHFFFAOYSA-N
MW377.96 g/mol
LogP5.10
Rot. Bonds11

About 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride

5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride (PubChem CID 18986869) has the molecular formula C22H32ClNO2 and a molecular weight of 377.96 g/mol. Its IUPAC name is 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride.

Molecular Properties

Compound Name5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride
PubChem CID18986869
Molecular FormulaC22H32ClNO2
Molecular Weight377.96 g/mol
Exact Mass377.21
IUPAC Name5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride
SMILESCCCN(CCC)CCc1ccc(OCCc2ccccc2)c(O)c1.Cl
InChIInChI=1S/C22H31NO2.ClH/c1-3-14-23(15-4-2)16-12-20-10-11-22(21(24)18-20)25-17-13-19-8-6-5-7-9-19;/h5-11,18,24H,3-4,12-17H2,1-2H3;1H
InChIKeyJJTNRONNGSDMES-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

Analyze 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Denopamine
CID 5311064
Bevantolol Hydrochloride
CID 39324
Cutamesine
CID 9907323
Bevantolol
CID 2372
N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine
CID 9841596
4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride (1:1)
CID 9952420
SA 4503
CID 9954941
4'-O-Methylnorbelladine
CID 253994
4-(3-(Benzylamino)butyl)-2-methoxyphenol
CID 562638
2-Phenoxy-5-tetradecylphenol
CID 23647315
N,N-bis(3,4-dimethoxyphenethyl)-N-methylamine
CID 5714
3-Methoxy-4-hydroxyclomiphene
CID 3081117

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride?
The IUPAC name of 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride (CID 18986869) is 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride.
What is the SMILES notation for 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride?
The canonical SMILES for 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride is CCCN(CCC)CCc1ccc(OCCc2ccccc2)c(O)c1.Cl.
What is the InChIKey of 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride?
The InChIKey is JJTNRONNGSDMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2.ClH/c1-3-14-23(15-4-2)16-12-20-10-11-22(21(24)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 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride?
5-[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 5-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride is sourced from PubChem (CID 18986869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).