3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol

C14H19ClN2O2 — CID 82850093

IUPAC3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
SMILESCCNCc1cn(CC(O)CO)c2cc(Cl)ccc12
InChIInChI=1S/C14H19ClN2O2/c1-2-16-6-10-7-17(8-12(19)9-18)14-5-11(15)3-4-13(10)14/h3-5,7,12,16,18-19H,2,6,8-9H2,1H3
InChIKeyACVJODOBUZDKHQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.76
Rot. Bonds6

About 3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol

3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol (PubChem CID 82850093) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
PubChem CID82850093
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
SMILESCCNCc1cn(CC(O)CO)c2cc(Cl)ccc12
InChIInChI=1S/C14H19ClN2O2/c1-2-16-6-10-7-17(8-12(19)9-18)14-5-11(15)3-4-13(10)14/h3-5,7,12,16,18-19H,2,6,8-9H2,1H3
InChIKeyACVJODOBUZDKHQ-UHFFFAOYSA-N
XLogP1.76
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-chloro-3-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 82850224
N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine
CID 82927960
N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine
CID 103035007
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828
3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol
CID 82850357
6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol
CID 107705771
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102915922
1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
CID 22139039
6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
CID 107705897
[6-chloro-1-(2-ethylsulfanylethyl)indol-3-yl]methanamine
CID 113473972
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
CID 17159719

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol (CID 82850093) is 3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol is CCNCc1cn(CC(O)CO)c2cc(Cl)ccc12.
What is the InChIKey of 3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol?
The InChIKey is ACVJODOBUZDKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-16-6-10-7-17(8-12(19)9-18)14-5-11(15)3-4-13(10)14/h3-5,7,12,16,18-19H,2,6,8-9H2,1H3.
What are the key properties of 3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol?
3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol has a molecular weight of 282.77 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82850093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).