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

C15H22ClN — CID 113291766

IUPAC5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCCCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H22ClN/c1-2-3-4-5-8-17-15-10-12-6-7-14(16)9-13(12)11-15/h6-7,9,15,17H,2-5,8,10-11H2,1H3
InChIKeyZECDYFOZFIKGMK-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.98
Rot. Bonds6

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

5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 113291766) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine
PubChem CID113291766
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCCCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H22ClN/c1-2-3-4-5-8-17-15-10-12-6-7-14(16)9-13(12)11-15/h6-7,9,15,17H,2-5,8,10-11H2,1H3
InChIKeyZECDYFOZFIKGMK-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-nonyl-2,3-dihydro-1H-inden-2-amine
CID 107851988
5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide
CID 114161759
N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide
CID 103776642
5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 81301364
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776963
5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 115348711
5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine
CID 115890130
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 81300280
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 23636110
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2,2-dimethylbutanoic acid
CID 122127276
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide
CID 103901946
5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
CID 81300469

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine (CID 113291766) is 5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine is CCCCCCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ZECDYFOZFIKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-2-3-4-5-8-17-15-10-12-6-7-14(16)9-13(12)11-15/h6-7,9,15,17H,2-5,8,10-11H2,1H3.
What are the key properties of 5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 251.80 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 113291766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).