1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine

C10H11ClN2 — CID 116962085

IUPAC1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
SMILESCNC(Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C10H11ClN2/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-6,10,12-13H,1H3
InChIKeyYKMBAFKIMJAEOM-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.62
Rot. Bonds2

About 1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine

1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine (PubChem CID 116962085) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
PubChem CID116962085
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
SMILESCNC(Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C10H11ClN2/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-6,10,12-13H,1H3
InChIKeyYKMBAFKIMJAEOM-UHFFFAOYSA-N
XLogP2.62
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
3-[chloro(methoxy)methyl]-1H-indole
CID 67187607
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
CID 167469094
CID 167469094
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
1-(1H-indol-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 112742650
1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116958427
(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine
CID 124566723
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine (CID 116962085) is 1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine is CNC(Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine?
The InChIKey is YKMBAFKIMJAEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-6,10,12-13H,1H3.
What are the key properties of 1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine?
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine has a molecular weight of 194.66 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 116962085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).