[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine

C17H25ClN2 — CID 103351970

IUPAC[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(C2CCc3cc(Cl)ccc32)C(CN)C1
InChIInChI=1S/C17H25ClN2/c1-2-12-7-8-20(15(9-12)11-19)17-6-3-13-10-14(18)4-5-16(13)17/h4-5,10,12,15,17H,2-3,6-9,11,19H2,1H3
InChIKeyFYZXFZHYTDWGSP-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.78
Rot. Bonds3

About [1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine

[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103351970) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is [1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine
PubChem CID103351970
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(C2CCc3cc(Cl)ccc32)C(CN)C1
InChIInChI=1S/C17H25ClN2/c1-2-12-7-8-20(15(9-12)11-19)17-6-3-13-10-14(18)4-5-16(13)17/h4-5,10,12,15,17H,2-3,6-9,11,19H2,1H3
InChIKeyFYZXFZHYTDWGSP-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine (CID 103351970) is [1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(C2CCc3cc(Cl)ccc32)C(CN)C1.
What is the InChIKey of [1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is FYZXFZHYTDWGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-2-12-7-8-20(15(9-12)11-19)17-6-3-13-10-14(18)4-5-16(13)17/h4-5,10,12,15,17H,2-3,6-9,11,19H2,1H3.
What are the key properties of [1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine?
[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 292.85 g/mol, XLogP of 3.78, 3 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-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103351970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).