(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol

C18H20BrNO — CID 104926175

IUPAC(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NC1CCc2cc(Br)ccc21
InChIInChI=1S/C18H20BrNO/c19-15-7-8-17-14(11-15)6-9-18(17)20-16(12-21)10-13-4-2-1-3-5-13/h1-5,7-8,11,16,18,20-21H,6,9-10,12H2/t16-,18?/m1/s1
InChIKeyBWVFEYOPQCCNBD-PYUWXLGESA-N
MW346.27 g/mol
LogP3.63
Rot. Bonds5

About (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol

(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol (PubChem CID 104926175) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
PubChem CID104926175
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NC1CCc2cc(Br)ccc21
InChIInChI=1S/C18H20BrNO/c19-15-7-8-17-14(11-15)6-9-18(17)20-16(12-21)10-13-4-2-1-3-5-13/h1-5,7-8,11,16,18,20-21H,6,9-10,12H2/t16-,18?/m1/s1
InChIKeyBWVFEYOPQCCNBD-PYUWXLGESA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 102613765
N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 91259387
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid
CID 122045757
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol
CID 102613735
2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 61070816
5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 63455836
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol (CID 104926175) is (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol is OC[C@@H](Cc1ccccc1)NC1CCc2cc(Br)ccc21.
What is the InChIKey of (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is BWVFEYOPQCCNBD-PYUWXLGESA-N. The full InChI is InChI=1S/C18H20BrNO/c19-15-7-8-17-14(11-15)6-9-18(17)20-16(12-21)10-13-4-2-1-3-5-13/h1-5,7-8,11,16,18,20-21H,6,9-10,12H2/t16-,18?/m1/s1.
What are the key properties of (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol?
(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 346.27 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104926175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).