(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol

C20H27NO3 — CID 7157614

IUPAC(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
SMILESCCN(CC)C[C@@H](O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H27NO3/c1-3-21(4-2)14-18(22)16-24-20-12-10-19(11-13-20)23-15-17-8-6-5-7-9-17/h5-13,18,22H,3-4,14-16H2,1-2H3/t18-/m1/s1
InChIKeyUNXNJXRHWLKQLQ-GOSISDBHSA-N
MW329.44 g/mol
LogP3.35
Rot. Bonds10

About (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol

(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol (PubChem CID 7157614) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
PubChem CID7157614
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
SMILESCCN(CC)C[C@@H](O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H27NO3/c1-3-21(4-2)14-18(22)16-24-20-12-10-19(11-13-20)23-15-17-8-6-5-7-9-17/h5-13,18,22H,3-4,14-16H2,1-2H3/t18-/m1/s1
InChIKeyUNXNJXRHWLKQLQ-GOSISDBHSA-N
XLogP3.35
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol 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

1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
(2S)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]-[2-(4-phenylmethoxyphenyl)ethyl]amino]-3-phenoxypropan-2-ol
CID 67905868
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
(2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol
CID 2102012
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 55361614
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807375

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol (CID 7157614) is (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol is CCN(CC)C[C@@H](O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol?
The InChIKey is UNXNJXRHWLKQLQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-21(4-2)14-18(22)16-24-20-12-10-19(11-13-20)23-15-17-8-6-5-7-9-17/h5-13,18,22H,3-4,14-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol?
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol is sourced from PubChem (CID 7157614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).