(4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine

C10H13ClN2 — CID 83868565

IUPAC(4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
SMILESCc1ccc(Cl)c2c1NC(CN)C2
InChIInChI=1S/C10H13ClN2/c1-6-2-3-9(11)8-4-7(5-12)13-10(6)8/h2-3,7,13H,4-5,12H2,1H3
InChIKeyVETMOGLVDHWJMK-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.94
Rot. Bonds1

About (4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine

(4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine (PubChem CID 83868565) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is (4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
PubChem CID83868565
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name(4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
SMILESCc1ccc(Cl)c2c1NC(CN)C2
InChIInChI=1S/C10H13ClN2/c1-6-2-3-9(11)8-4-7(5-12)13-10(6)8/h2-3,7,13H,4-5,12H2,1H3
InChIKeyVETMOGLVDHWJMK-UHFFFAOYSA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine?
The IUPAC name of (4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine (CID 83868565) is (4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine.
What is the SMILES notation for (4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine?
The canonical SMILES for (4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine is Cc1ccc(Cl)c2c1NC(CN)C2.
What is the InChIKey of (4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine?
The InChIKey is VETMOGLVDHWJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-6-2-3-9(11)8-4-7(5-12)13-10(6)8/h2-3,7,13H,4-5,12H2,1H3.
What are the key properties of (4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine?
(4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine has a molecular weight of 196.68 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine is sourced from PubChem (CID 83868565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).