1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine

C10H11ClN2O — CID 117300860

IUPAC1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine
SMILESCONCc1ccc2[nH]cc(Cl)c2c1
InChIInChI=1S/C10H11ClN2O/c1-14-13-5-7-2-3-10-8(4-7)9(11)6-12-10/h2-4,6,12-13H,5H2,1H3
InChIKeyPKRUEYDJSUHACS-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.47
Rot. Bonds3

About 1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine

1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine (PubChem CID 117300860) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine
PubChem CID117300860
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine
SMILESCONCc1ccc2[nH]cc(Cl)c2c1
InChIInChI=1S/C10H11ClN2O/c1-14-13-5-7-2-3-10-8(4-7)9(11)6-12-10/h2-4,6,12-13H,5H2,1H3
InChIKeyPKRUEYDJSUHACS-UHFFFAOYSA-N
XLogP2.47
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-(chloromethyl)-1H-indole;ethane
CID 145002050
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
CID 117302343
1-(4-butan-2-yl-3-chlorophenyl)-N-methoxymethanamine
CID 117327954
(3-chloro-1H-indol-5-yl) acetate
CID 174442875
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
CID 110611810
methane;methyl 3-chloro-1H-indole-5-carboxylate;methyl 1H-indole-5-carboxylate
CID 157434836
1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one
CID 167628281
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
ethyl 2-(3-chloro-1H-indol-5-yl)-2-hydroxyacetate
CID 117387028
[3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate
CID 175008487

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine?
The IUPAC name of 1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine (CID 117300860) is 1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine is CONCc1ccc2[nH]cc(Cl)c2c1.
What is the InChIKey of 1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine?
The InChIKey is PKRUEYDJSUHACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-14-13-5-7-2-3-10-8(4-7)9(11)6-12-10/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine?
1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine has a molecular weight of 210.66 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine is sourced from PubChem (CID 117300860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).