1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol

C22H28N2O3 — CID 46962119

IUPAC1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol
SMILESCOc1ccc(CN(Cc2[nH]c3ccccc3c2C)CC(C)O)cc1OC
InChIInChI=1S/C22H28N2O3/c1-15(25)12-24(13-17-9-10-21(26-3)22(11-17)27-4)14-20-16(2)18-7-5-6-8-19(18)23-20/h5-11,15,23,25H,12-14H2,1-4H3
InChIKeyOWPZRJNRXHONRH-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.88
Rot. Bonds8

About 1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol

1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol (PubChem CID 46962119) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol
PubChem CID46962119
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol
SMILESCOc1ccc(CN(Cc2[nH]c3ccccc3c2C)CC(C)O)cc1OC
InChIInChI=1S/C22H28N2O3/c1-15(25)12-24(13-17-9-10-21(26-3)22(11-17)27-4)14-20-16(2)18-7-5-6-8-19(18)23-20/h5-11,15,23,25H,12-14H2,1-4H3
InChIKeyOWPZRJNRXHONRH-UHFFFAOYSA-N
XLogP3.88
TPSA57.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[[(3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]amino]methyl]chromen-4-one
CID 92581919
(2S)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8798182
N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
CID 119082195
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol
CID 93160830
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
2-[1-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135756556
1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol
CID 47092518
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118
1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-methylbutan-2-ol
CID 24713915
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 112527043
1-[(3,4-dimethoxyphenyl)methyl-(3-methylbutyl)amino]butan-2-ol
CID 46006960
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46006868

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol (CID 46962119) is 1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol is COc1ccc(CN(Cc2[nH]c3ccccc3c2C)CC(C)O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol?
The InChIKey is OWPZRJNRXHONRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(25)12-24(13-17-9-10-21(26-3)22(11-17)27-4)14-20-16(2)18-7-5-6-8-19(18)23-20/h5-11,15,23,25H,12-14H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol?
1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol has a molecular weight of 368.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 46962119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).