3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol

C12H16N2O3 — CID 168596254

IUPAC3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol
SMILESCOc1cc(NCC(O)CO)c2[nH]ccc2c1
InChIInChI=1S/C12H16N2O3/c1-17-10-4-8-2-3-13-12(8)11(5-10)14-6-9(16)7-15/h2-5,9,13-16H,6-7H2,1H3
InChIKeyDKDPGOSWJCOUKD-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.94
Rot. Bonds5

About 3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol

3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol (PubChem CID 168596254) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol
PubChem CID168596254
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol
SMILESCOc1cc(NCC(O)CO)c2[nH]ccc2c1
InChIInChI=1S/C12H16N2O3/c1-17-10-4-8-2-3-13-12(8)11(5-10)14-6-9(16)7-15/h2-5,9,13-16H,6-7H2,1H3
InChIKeyDKDPGOSWJCOUKD-UHFFFAOYSA-N
XLogP0.94
TPSA77.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168596588
3-[4-amino-2-(3,5-dimethoxyphenyl)anilino]propane-1,2-diol
CID 18371616
3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol
CID 66175454
1-[4-(2,3-dihydroxypropylamino)-3-methoxyphenyl]ethanone
CID 168597111
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
3-(2,5-difluoro-4-methoxyanilino)propane-1,2-diol
CID 115121931
methyl 4-(2,3-dihydroxypropylamino)-3-iodobenzoate
CID 168597515
(2S)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propane-1,2-diol
CID 70597929
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426
3-(4-bromo-2-methoxy-3-methylanilino)propane-1,2-diol
CID 168597062
3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol
CID 168593831
1-(2-iodoanilino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60901769

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol (CID 168596254) is 3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol is COc1cc(NCC(O)CO)c2[nH]ccc2c1.
What is the InChIKey of 3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol?
The InChIKey is DKDPGOSWJCOUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-10-4-8-2-3-13-12(8)11(5-10)14-6-9(16)7-15/h2-5,9,13-16H,6-7H2,1H3.
What are the key properties of 3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol?
3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol has a molecular weight of 236.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol is sourced from PubChem (CID 168596254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).