2-(aminomethyl)-5-chloro-1H-indol-6-amine

C9H10ClN3 — CID 171644515

IUPAC2-(aminomethyl)-5-chloro-1H-indol-6-amine
SMILESNCc1cc2cc(Cl)c(N)cc2[nH]1
InChIInChI=1S/C9H10ClN3/c10-7-2-5-1-6(4-11)13-9(5)3-8(7)12/h1-3,13H,4,11-12H2
InChIKeyDPWYQPRCHYXSDF-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.86
Rot. Bonds1

About 2-(aminomethyl)-5-chloro-1H-indol-6-amine

2-(aminomethyl)-5-chloro-1H-indol-6-amine (PubChem CID 171644515) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(aminomethyl)-5-chloro-1H-indol-6-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-chloro-1H-indol-6-amine
PubChem CID171644515
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name2-(aminomethyl)-5-chloro-1H-indol-6-amine
SMILESNCc1cc2cc(Cl)c(N)cc2[nH]1
InChIInChI=1S/C9H10ClN3/c10-7-2-5-1-6(4-11)13-9(5)3-8(7)12/h1-3,13H,4,11-12H2
InChIKeyDPWYQPRCHYXSDF-UHFFFAOYSA-N
XLogP1.86
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-chloro-1H-indol-6-amine?
The IUPAC name of 2-(aminomethyl)-5-chloro-1H-indol-6-amine (CID 171644515) is 2-(aminomethyl)-5-chloro-1H-indol-6-amine.
What is the SMILES notation for 2-(aminomethyl)-5-chloro-1H-indol-6-amine?
The canonical SMILES for 2-(aminomethyl)-5-chloro-1H-indol-6-amine is NCc1cc2cc(Cl)c(N)cc2[nH]1.
What is the InChIKey of 2-(aminomethyl)-5-chloro-1H-indol-6-amine?
The InChIKey is DPWYQPRCHYXSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c10-7-2-5-1-6(4-11)13-9(5)3-8(7)12/h1-3,13H,4,11-12H2.
What are the key properties of 2-(aminomethyl)-5-chloro-1H-indol-6-amine?
2-(aminomethyl)-5-chloro-1H-indol-6-amine has a molecular weight of 195.65 g/mol, XLogP of 1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-chloro-1H-indol-6-amine is sourced from PubChem (CID 171644515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).