5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C17H25BrN2 — CID 106624406

IUPAC5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCN(CC1CCCNC1)C1CCc2cc(Br)ccc21
InChIInChI=1S/C17H25BrN2/c1-2-20(12-13-4-3-9-19-11-13)17-8-5-14-10-15(18)6-7-16(14)17/h6-7,10,13,17,19H,2-5,8-9,11-12H2,1H3
InChIKeyFOXPDMQKOSRBST-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.76
Rot. Bonds4

About 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 106624406) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID106624406
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCN(CC1CCCNC1)C1CCc2cc(Br)ccc21
InChIInChI=1S/C17H25BrN2/c1-2-20(12-13-4-3-9-19-11-13)17-8-5-14-10-15(18)6-7-16(14)17/h6-7,10,13,17,19H,2-5,8-9,11-12H2,1H3
InChIKeyFOXPDMQKOSRBST-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106623839
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624688
5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 22349548
(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 167334523
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544
4-bromo-2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107739211
5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106598980
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
CID 115209597
4-bromo-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 107739212
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzonitrile
CID 106642648
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 106624406) is 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is CCN(CC1CCCNC1)C1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FOXPDMQKOSRBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-2-20(12-13-4-3-9-19-11-13)17-8-5-14-10-15(18)6-7-16(14)17/h6-7,10,13,17,19H,2-5,8-9,11-12H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 337.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106624406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).