5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine

C14H18ClN — CID 115890130

IUPAC5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine
SMILESC/C=C/CCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H18ClN/c1-2-3-4-7-16-14-9-11-5-6-13(15)8-12(11)10-14/h2-3,5-6,8,14,16H,4,7,9-10H2,1H3/b3-2+
InChIKeyJIAIGRKUUJBLBE-NSCUHMNNSA-N
MW235.76 g/mol
LogP3.36
Rot. Bonds4

About 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 115890130) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID115890130
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine
SMILESC/C=C/CCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H18ClN/c1-2-3-4-7-16-14-9-11-5-6-13(15)8-12(11)10-14/h2-3,5-6,8,14,16H,4,7,9-10H2,1H3/b3-2+
InChIKeyJIAIGRKUUJBLBE-NSCUHMNNSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 81301364
5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine
CID 113291766
5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide
CID 114161759
5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
CID 81300469
3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
CID 104530229
5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine
CID 103901370
5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine
CID 115716168
5-chloro-N-(2-cyclohexylethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348932
N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide
CID 103776642
5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107094112
5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 81343769
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776963

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine (CID 115890130) is 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine is C/C=C/CCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is JIAIGRKUUJBLBE-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H18ClN/c1-2-3-4-7-16-14-9-11-5-6-13(15)8-12(11)10-14/h2-3,5-6,8,14,16H,4,7,9-10H2,1H3/b3-2+.
What are the key properties of 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 235.76 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115890130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).