N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C15H15ClN2 — CID 113390962

IUPACN-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESClCc1cccc(Nc2ccc3c(n2)CCC3)c1
InChIInChI=1S/C15H15ClN2/c16-10-11-3-1-5-13(9-11)17-15-8-7-12-4-2-6-14(12)18-15/h1,3,5,7-9H,2,4,6,10H2,(H,17,18)
InChIKeyRFLKGBIBPRUBGN-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.05
Rot. Bonds3

About N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 113390962) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID113390962
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC NameN-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESClCc1cccc(Nc2ccc3c(n2)CCC3)c1
InChIInChI=1S/C15H15ClN2/c16-10-11-3-1-5-13(9-11)17-15-8-7-12-4-2-6-14(12)18-15/h1,3,5,7-9H,2,4,6,10H2,(H,17,18)
InChIKeyRFLKGBIBPRUBGN-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 113390962) is N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is ClCc1cccc(Nc2ccc3c(n2)CCC3)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is RFLKGBIBPRUBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-10-11-3-1-5-13(9-11)17-15-8-7-12-4-2-6-14(12)18-15/h1,3,5,7-9H,2,4,6,10H2,(H,17,18).
What are the key properties of N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 258.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 113390962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).