(2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol

C19H22N2O2 — CID 122600778

IUPAC(2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1cccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H22N2O2/c1-23-17-6-4-5-14(9-17)11-20-16(13-22)10-15-12-21-19-8-3-2-7-18(15)19/h2-9,12,16,20-22H,10-11,13H2,1H3/t16-/m0/s1
InChIKeyGEURFFDDPPDUIV-INIZCTEOSA-N
MW310.40 g/mol
LogP2.87
Rot. Bonds7

About (2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol

(2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol (PubChem CID 122600778) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol
PubChem CID122600778
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1cccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H22N2O2/c1-23-17-6-4-5-14(9-17)11-20-16(13-22)10-15-12-21-19-8-3-2-7-18(15)19/h2-9,12,16,20-22H,10-11,13H2,1H3/t16-/m0/s1
InChIKeyGEURFFDDPPDUIV-INIZCTEOSA-N
XLogP2.87
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-methoxy-5-(3-methoxyphenyl)benzamide
CID 58831850
(2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol
CID 122589547
N-[3-(1H-indol-3-yl)-2-(tritylamino)propyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 10507700
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
3-(1H-indol-3-yl)-2-[(3-pyrimidin-2-yloxyphenyl)methylamino]propanoic acid
CID 17213642
methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 53306565
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
(2R)-3-(1H-indol-3-yl)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 51993170
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of (2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol (CID 122600778) is (2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol is COc1cccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of (2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol?
The InChIKey is GEURFFDDPPDUIV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-17-6-4-5-14(9-17)11-20-16(13-22)10-15-12-21-19-8-3-2-7-18(15)19/h2-9,12,16,20-22H,10-11,13H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol?
(2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 122600778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).