(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol

C18H20BrNO — CID 103784050

IUPAC(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol
SMILESOC[C@@H](NC1CCc2cc(Br)ccc2C1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c19-16-8-6-15-11-17(9-7-14(15)10-16)20-18(12-21)13-4-2-1-3-5-13/h1-6,8,10,17-18,20-21H,7,9,11-12H2/t17?,18-/m1/s1
InChIKeyVUVLZDOBRKKOMJ-QRWMCTBCSA-N
MW346.27 g/mol
LogP3.63
Rot. Bonds4

About (2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol

(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol (PubChem CID 103784050) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is (2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol
PubChem CID103784050
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol
SMILESOC[C@@H](NC1CCc2cc(Br)ccc2C1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c19-16-8-6-15-11-17(9-7-14(15)10-16)20-18(12-21)13-4-2-1-3-5-13/h1-6,8,10,17-18,20-21H,7,9,11-12H2/t17?,18-/m1/s1
InChIKeyVUVLZDOBRKKOMJ-QRWMCTBCSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
CID 63626390
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 104925952
6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81369780
6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249808
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 65055516
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81354123
6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81385547
6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115727894
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 63627449

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol (CID 103784050) is (2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol is OC[C@@H](NC1CCc2cc(Br)ccc2C1)c1ccccc1.
What is the InChIKey of (2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol?
The InChIKey is VUVLZDOBRKKOMJ-QRWMCTBCSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-16-8-6-15-11-17(9-7-14(15)10-16)20-18(12-21)13-4-2-1-3-5-13/h1-6,8,10,17-18,20-21H,7,9,11-12H2/t17?,18-/m1/s1.
What are the key properties of (2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol?
(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol has a molecular weight of 346.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol is sourced from PubChem (CID 103784050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).