1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine

C14H19ClN2 — CID 103575624

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine
SMILESCC1CN(C2CCc3cc(Cl)ccc32)CC1N
InChIInChI=1S/C14H19ClN2/c1-9-7-17(8-13(9)16)14-5-2-10-6-11(15)3-4-12(10)14/h3-4,6,9,13-14H,2,5,7-8,16H2,1H3
InChIKeyVIWDQMSNFSFNDS-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.61
Rot. Bonds1

About 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine (PubChem CID 103575624) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine
PubChem CID103575624
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine
SMILESCC1CN(C2CCc3cc(Cl)ccc32)CC1N
InChIInChI=1S/C14H19ClN2/c1-9-7-17(8-13(9)16)14-5-2-10-6-11(15)3-4-12(10)14/h3-4,6,9,13-14H,2,5,7-8,16H2,1H3
InChIKeyVIWDQMSNFSFNDS-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine (CID 103575624) is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine is CC1CN(C2CCc3cc(Cl)ccc32)CC1N.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine?
The InChIKey is VIWDQMSNFSFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-9-7-17(8-13(9)16)14-5-2-10-6-11(15)3-4-12(10)14/h3-4,6,9,13-14H,2,5,7-8,16H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine?
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine has a molecular weight of 250.77 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).