3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

C12H14ClN — CID 68828873

IUPAC3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCNC1CC(Cl)c2ccccc21
InChIInChI=1S/C12H14ClN/c1-2-7-14-12-8-11(13)9-5-3-4-6-10(9)12/h2-6,11-12,14H,1,7-8H2
InChIKeyFHRREZCXJJVWTH-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.19
Rot. Bonds3

About 3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 68828873) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
PubChem CID68828873
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCNC1CC(Cl)c2ccccc21
InChIInChI=1S/C12H14ClN/c1-2-7-14-12-8-11(13)9-5-3-4-6-10(9)12/h2-6,11-12,14H,1,7-8H2
InChIKeyFHRREZCXJJVWTH-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 72206251
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CID 15859055
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CID 26338
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CID 16772611
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine (CID 68828873) is 3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine is C=CCNC1CC(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FHRREZCXJJVWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-2-7-14-12-8-11(13)9-5-3-4-6-10(9)12/h2-6,11-12,14H,1,7-8H2.
What are the key properties of 3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 207.70 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 68828873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).