4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine

C13H18ClN — CID 79726762

IUPAC4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cccc(Cl)c2CC1C
InChIInChI=1S/C13H18ClN/c1-3-7-15-13-9(2)8-11-10(13)5-4-6-12(11)14/h4-6,9,13,15H,3,7-8H2,1-2H3
InChIKeyOSZWWRBSPTYCCJ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.57
Rot. Bonds3

About 4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine

4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79726762) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79726762
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cccc(Cl)c2CC1C
InChIInChI=1S/C13H18ClN/c1-3-7-15-13-9(2)8-11-10(13)5-4-6-12(11)14/h4-6,9,13,15H,3,7-8H2,1-2H3
InChIKeyOSZWWRBSPTYCCJ-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 79726762) is 4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2cccc(Cl)c2CC1C.
What is the InChIKey of 4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OSZWWRBSPTYCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-3-7-15-13-9(2)8-11-10(13)5-4-6-12(11)14/h4-6,9,13,15H,3,7-8H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79726762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).