(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol

C19H21N3O3 — CID 97322520

IUPAC(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol
SMILESC[C@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O3/c1-13(14-6-8-17(9-7-14)22(24)25)21-16(12-23)10-15-11-20-19-5-3-2-4-18(15)19/h2-9,11,13,16,20-21,23H,10,12H2,1H3/t13-,16+/m0/s1
InChIKeyKLHYEFPMIDSMDH-XJKSGUPXSA-N
MW339.40 g/mol
LogP3.33
Rot. Bonds7

About (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol

(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol (PubChem CID 97322520) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol
PubChem CID97322520
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol
SMILESC[C@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O3/c1-13(14-6-8-17(9-7-14)22(24)25)21-16(12-23)10-15-11-20-19-5-3-2-4-18(15)19/h2-9,11,13,16,20-21,23H,10,12H2,1H3/t13-,16+/m0/s1
InChIKeyKLHYEFPMIDSMDH-XJKSGUPXSA-N
XLogP3.33
TPSA91.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)-2-methyl-N-[1-(4-nitrophenyl)ethyl]propanamide
CID 70159952
N-[1-(1H-indol-3-yl)propan-2-yl]-4-nitrobenzamide
CID 2827451
(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol
CID 97232177
(2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol
CID 97232173
2-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-5-nitrobenzonitrile
CID 95981821
methyl 3-(1H-indol-3-yl)-2-[[2-(4-nitrophenyl)acetyl]amino]propanoate
CID 78779969
(2S)-2-[1-(4-nitrophenyl)ethylamino]-2-phenylethanol
CID 103784100
1H-indol-3-yl-(4-nitrophenyl)methanol
CID 10265008
3-[(4-nitrophenyl)sulfanylmethyl]-1H-indole
CID 134095550
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277
1-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 4584277

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol?
The IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol (CID 97322520) is (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol is C[C@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol?
The InChIKey is KLHYEFPMIDSMDH-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(14-6-8-17(9-7-14)22(24)25)21-16(12-23)10-15-11-20-19-5-3-2-4-18(15)19/h2-9,11,13,16,20-21,23H,10,12H2,1H3/t13-,16+/m0/s1.
What are the key properties of (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol?
(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol has a molecular weight of 339.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 97322520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).