2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol

C21H24BrNO — CID 167937954

IUPAC2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol
SMILESOCC(NC1CCCc2ccc(Br)cc21)C1CCc2ccccc21
InChIInChI=1S/C21H24BrNO/c22-16-10-8-15-5-3-7-20(19(15)12-16)23-21(13-24)18-11-9-14-4-1-2-6-17(14)18/h1-2,4,6,8,10,12,18,20-21,23-24H,3,5,7,9,11,13H2
InChIKeyAMPNOACMZAHKBG-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.51
Rot. Bonds4

About 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol

2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol (PubChem CID 167937954) has the molecular formula C21H24BrNO and a molecular weight of 386.33 g/mol. Its IUPAC name is 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol.

Molecular Properties

Compound Name2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol
PubChem CID167937954
Molecular FormulaC21H24BrNO
Molecular Weight386.33 g/mol
Exact Mass385.10
IUPAC Name2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol
SMILESOCC(NC1CCCc2ccc(Br)cc21)C1CCc2ccccc21
InChIInChI=1S/C21H24BrNO/c22-16-10-8-15-5-3-7-20(19(15)12-16)23-21(13-24)18-11-9-14-4-1-2-6-17(14)18/h1-2,4,6,8,10,12,18,20-21,23-24H,3,5,7,9,11,13H2
InChIKeyAMPNOACMZAHKBG-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol with MolForge

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Related Compounds

(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103894761
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82964579
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82775610
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
CID 107862596
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404945
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404361
(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
CID 102372507
3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
CID 114094230
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol?
The IUPAC name of 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol (CID 167937954) is 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol.
What is the SMILES notation for 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol?
The canonical SMILES for 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol is OCC(NC1CCCc2ccc(Br)cc21)C1CCc2ccccc21.
What is the InChIKey of 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol?
The InChIKey is AMPNOACMZAHKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrNO/c22-16-10-8-15-5-3-7-20(19(15)12-16)23-21(13-24)18-11-9-14-4-1-2-6-17(14)18/h1-2,4,6,8,10,12,18,20-21,23-24H,3,5,7,9,11,13H2.
What are the key properties of 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol?
2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol has a molecular weight of 386.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol is sourced from PubChem (CID 167937954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).