(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol

C20H24N2O2 — CID 97070492

IUPAC(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)CNCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H24N2O2/c1-15-6-8-18(9-7-15)24-14-17(23)13-21-11-10-16-12-22-20-5-3-2-4-19(16)20/h2-9,12,17,21-23H,10-11,13-14H2,1H3/t17-/m1/s1
InChIKeyGNAFJDPYGXBAQZ-QGZVFWFLSA-N
MW324.42 g/mol
LogP3.05
Rot. Bonds8

About (2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol

(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 97070492) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol
PubChem CID97070492
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)CNCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H24N2O2/c1-15-6-8-18(9-7-15)24-14-17(23)13-21-11-10-16-12-22-20-5-3-2-4-19(16)20/h2-9,12,17,21-23H,10-11,13-14H2,1H3/t17-/m1/s1
InChIKeyGNAFJDPYGXBAQZ-QGZVFWFLSA-N
XLogP3.05
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17054413
2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17054412
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
CID 12619618
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 23330538
1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol
CID 21293982
2-[[3-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]-1H-indol-7-yl]oxy]acetic acid
CID 139877661
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 35726366
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17158293
(2S)-1-[4-(2,5-dihydro-1H-imidazol-2-yl)phenoxy]-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 91131383
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 175018901
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol (CID 97070492) is (2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OC[C@H](O)CNCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of (2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is GNAFJDPYGXBAQZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-6-8-18(9-7-15)24-14-17(23)13-21-11-10-16-12-22-20-5-3-2-4-19(16)20/h2-9,12,17,21-23H,10-11,13-14H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol?
(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 324.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 97070492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).