3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol

C14H20N2O2 — CID 102915922

IUPAC3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
SMILESCCNCc1ccc2c(ccn2CC(O)CO)c1
InChIInChI=1S/C14H20N2O2/c1-2-15-8-11-3-4-14-12(7-11)5-6-16(14)9-13(18)10-17/h3-7,13,15,17-18H,2,8-10H2,1H3
InChIKeyZWQSHFBWZHZNGW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.10
Rot. Bonds6

About 3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol

3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol (PubChem CID 102915922) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
PubChem CID102915922
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
SMILESCCNCc1ccc2c(ccn2CC(O)CO)c1
InChIInChI=1S/C14H20N2O2/c1-2-15-8-11-3-4-14-12(7-11)5-6-16(14)9-13(18)10-17/h3-7,13,15,17-18H,2,8-10H2,1H3
InChIKeyZWQSHFBWZHZNGW-UHFFFAOYSA-N
XLogP1.10
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
CID 102915930
2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol
CID 102916325
N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine
CID 113474442
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol
CID 102916132
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
CID 103035023
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915853

Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol (CID 102915922) is 3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol is CCNCc1ccc2c(ccn2CC(O)CO)c1.
What is the InChIKey of 3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol?
The InChIKey is ZWQSHFBWZHZNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-15-8-11-3-4-14-12(7-11)5-6-16(14)9-13(18)10-17/h3-7,13,15,17-18H,2,8-10H2,1H3.
What are the key properties of 3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol?
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol has a molecular weight of 248.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol is sourced from PubChem (CID 102915922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).