(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol

C19H25NO3 — CID 97356530

IUPAC(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
SMILESCOc1cccc(CCNC[C@H](O)COc2cccc(C)c2)c1
InChIInChI=1S/C19H25NO3/c1-15-5-3-8-19(11-15)23-14-17(21)13-20-10-9-16-6-4-7-18(12-16)22-2/h3-8,11-12,17,20-21H,9-10,13-14H2,1-2H3/t17-/m0/s1
InChIKeyMKRKUQFXVHCHNY-KRWDZBQOSA-N
MW315.41 g/mol
LogP2.58
Rot. Bonds9

About (2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol

(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 97356530) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID97356530
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
SMILESCOc1cccc(CCNC[C@H](O)COc2cccc(C)c2)c1
InChIInChI=1S/C19H25NO3/c1-15-5-3-8-19(11-15)23-14-17(21)13-20-10-9-16-6-4-7-18(12-16)22-2/h3-8,11-12,17,20-21H,9-10,13-14H2,1-2H3/t17-/m0/s1
InChIKeyMKRKUQFXVHCHNY-KRWDZBQOSA-N
XLogP2.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 76968419
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol
CID 107093297
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-[[2-methoxy-2-(3-methoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 70414430
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(3-methylphenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045312
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol (CID 97356530) is (2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol is COc1cccc(CCNC[C@H](O)COc2cccc(C)c2)c1.
What is the InChIKey of (2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is MKRKUQFXVHCHNY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO3/c1-15-5-3-8-19(11-15)23-14-17(21)13-20-10-9-16-6-4-7-18(12-16)22-2/h3-8,11-12,17,20-21H,9-10,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 315.41 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 97356530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).