6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine

C14H19ClN2 — CID 82581804

IUPAC6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1c(Cl)ccc2c1CCN(C1CCCC1)C2
InChIInChI=1S/C14H19ClN2/c15-13-6-5-10-9-17(11-3-1-2-4-11)8-7-12(10)14(13)16/h5-6,11H,1-4,7-9,16H2
InChIKeyFPVUIPLINGSPQA-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.22
Rot. Bonds1

About 6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine

6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 82581804) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID82581804
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1c(Cl)ccc2c1CCN(C1CCCC1)C2
InChIInChI=1S/C14H19ClN2/c15-13-6-5-10-9-17(11-3-1-2-4-11)8-7-12(10)14(13)16/h5-6,11H,1-4,7-9,16H2
InChIKeyFPVUIPLINGSPQA-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine (CID 82581804) is 6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine is Nc1c(Cl)ccc2c1CCN(C1CCCC1)C2.
What is the InChIKey of 6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is FPVUIPLINGSPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-13-6-5-10-9-17(11-3-1-2-4-11)8-7-12(10)14(13)16/h5-6,11H,1-4,7-9,16H2.
What are the key properties of 6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine?
6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 250.77 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 82581804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).