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

C12H12ClN — CID 81300469

IUPAC5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
SMILESC#CCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H12ClN/c1-2-5-14-12-7-9-3-4-11(13)6-10(9)8-12/h1,3-4,6,12,14H,5,7-8H2
InChIKeyTWWYMXTTZVEUQI-UHFFFAOYSA-N
MW205.69 g/mol
LogP2.03
Rot. Bonds2

About 5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine

5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 81300469) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
PubChem CID81300469
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
SMILESC#CCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H12ClN/c1-2-5-14-12-7-9-3-4-11(13)6-10(9)8-12/h1,3-4,6,12,14H,5,7-8H2
InChIKeyTWWYMXTTZVEUQI-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 81301364
1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol
CID 115720479
5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine
CID 113291766
5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine
CID 115890130
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348749
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol
CID 81343825
5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 81332711
5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine
CID 115716168
5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81300561
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine (CID 81300469) is 5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine is C#CCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is TWWYMXTTZVEUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-2-5-14-12-7-9-3-4-11(13)6-10(9)8-12/h1,3-4,6,12,14H,5,7-8H2.
What are the key properties of 5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 205.69 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81300469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).