(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine

C13H15ClN2 — CID 83918924

IUPAC(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine
SMILESCn1c(CN)c(C2CC2)c2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2/c1-16-11-5-4-9(14)6-10(11)13(8-2-3-8)12(16)7-15/h4-6,8H,2-3,7,15H2,1H3
InChIKeyQCEUPBIYKJTRMS-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.17
Rot. Bonds2

About (5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine

(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine (PubChem CID 83918924) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is (5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine
PubChem CID83918924
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine
SMILESCn1c(CN)c(C2CC2)c2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2/c1-16-11-5-4-9(14)6-10(11)13(8-2-3-8)12(16)7-15/h4-6,8H,2-3,7,15H2,1H3
InChIKeyQCEUPBIYKJTRMS-UHFFFAOYSA-N
XLogP3.17
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclopropyl-1,5-dimethylindol-2-yl)ethanamine
CID 83918262
(6-chloro-1,3-dimethylindol-2-yl)methanamine
CID 84621214
(3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine
CID 83918424
6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 84741078
1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83868331
5-chloro-1,2-dimethyl-3-piperidin-2-ylindole
CID 82666551
methyl 5-chloro-2-(chloromethyl)-1-methylindole-3-carboxylate
CID 58771143
5-chloro-2-ethyl-1-methylindole-3-carbaldehyde
CID 84687258
2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84628695
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10827392
[1-(5-chloro-1,2-dimethylindol-3-yl)cyclobutyl]methanamine
CID 82666568
[1-(5-chloro-1,2-dimethylindol-3-yl)cyclopentyl]methanamine
CID 98034385

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine?
The IUPAC name of (5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine (CID 83918924) is (5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine.
What is the SMILES notation for (5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine?
The canonical SMILES for (5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine is Cn1c(CN)c(C2CC2)c2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine?
The InChIKey is QCEUPBIYKJTRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-16-11-5-4-9(14)6-10(11)13(8-2-3-8)12(16)7-15/h4-6,8H,2-3,7,15H2,1H3.
What are the key properties of (5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine?
(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine has a molecular weight of 234.73 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine is sourced from PubChem (CID 83918924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).