6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine

C17H25ClN2 — CID 106023954

IUPAC6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine
SMILESCN1CCCC1CNC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C17H25ClN2/c1-17(2)10-12-6-7-13(18)9-15(12)16(17)19-11-14-5-4-8-20(14)3/h6-7,9,14,16,19H,4-5,8,10-11H2,1-3H3
InChIKeyLMYFUACNXZSPLQ-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.65
Rot. Bonds3

About 6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine

6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine (PubChem CID 106023954) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine
PubChem CID106023954
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine
SMILESCN1CCCC1CNC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C17H25ClN2/c1-17(2)10-12-6-7-13(18)9-15(12)16(17)19-11-14-5-4-8-20(14)3/h6-7,9,14,16,19H,4-5,8,10-11H2,1-3H3
InChIKeyLMYFUACNXZSPLQ-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine (CID 106023954) is 6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine is CN1CCCC1CNC1c2cc(Cl)ccc2CC1(C)C.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine?
The InChIKey is LMYFUACNXZSPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-17(2)10-12-6-7-13(18)9-15(12)16(17)19-11-14-5-4-8-20(14)3/h6-7,9,14,16,19H,4-5,8,10-11H2,1-3H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine has a molecular weight of 292.85 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 106023954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).