(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol

C19H25NO2 — CID 2114693

IUPAC(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
SMILESCCc1cccc(OC[C@H](O)CNCCc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-2-16-9-6-10-19(13-16)22-15-18(21)14-20-12-11-17-7-4-3-5-8-17/h3-10,13,18,20-21H,2,11-12,14-15H2,1H3/t18-/m1/s1
InChIKeyVGGNTDYZDHTDTG-GOSISDBHSA-N
MW299.41 g/mol
LogP2.82
Rot. Bonds9

About (2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol

(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol (PubChem CID 2114693) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
PubChem CID2114693
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
SMILESCCc1cccc(OC[C@H](O)CNCCc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-2-16-9-6-10-19(13-16)22-15-18(21)14-20-12-11-17-7-4-3-5-8-17/h3-10,13,18,20-21H,2,11-12,14-15H2,1H3/t18-/m1/s1
InChIKeyVGGNTDYZDHTDTG-GOSISDBHSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
1-(3-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60743860
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 106401529
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
1-(3-ethylphenoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80584604
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol (CID 2114693) is (2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol is CCc1cccc(OC[C@H](O)CNCCc2ccccc2)c1.
What is the InChIKey of (2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol?
The InChIKey is VGGNTDYZDHTDTG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25NO2/c1-2-16-9-6-10-19(13-16)22-15-18(21)14-20-12-11-17-7-4-3-5-8-17/h3-10,13,18,20-21H,2,11-12,14-15H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol?
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol is sourced from PubChem (CID 2114693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).