4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine

C12H14ClN — CID 83834003

IUPAC4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine
SMILESClc1cccc2c1CC(NC1CC1)C2
InChIInChI=1S/C12H14ClN/c13-12-3-1-2-8-6-10(7-11(8)12)14-9-4-5-9/h1-3,9-10,14H,4-7H2
InChIKeyOOZRTJYFLQIIQU-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.56
Rot. Bonds2

About 4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine

4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 83834003) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine
PubChem CID83834003
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine
SMILESClc1cccc2c1CC(NC1CC1)C2
InChIInChI=1S/C12H14ClN/c13-12-3-1-2-8-6-10(7-11(8)12)14-9-4-5-9/h1-3,9-10,14H,4-7H2
InChIKeyOOZRTJYFLQIIQU-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine (CID 83834003) is 4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine is Clc1cccc2c1CC(NC1CC1)C2.
What is the InChIKey of 4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is OOZRTJYFLQIIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c13-12-3-1-2-8-6-10(7-11(8)12)14-9-4-5-9/h1-3,9-10,14H,4-7H2.
What are the key properties of 4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine?
4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 207.70 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 83834003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).