5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C18H20BrNO — CID 81382181

IUPAC5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC[C@H](NC1CCCc2cc(O)ccc21)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO/c1-12(13-4-2-6-15(19)10-13)20-18-7-3-5-14-11-16(21)8-9-17(14)18/h2,4,6,8-12,18,20-21H,3,5,7H2,1H3/t12-,18?/m0/s1
InChIKeyBTCOVZVILUUBIP-RSXQAXDFSA-N
MW346.27 g/mol
LogP4.88
Rot. Bonds3

About 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 81382181) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID81382181
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC[C@H](NC1CCCc2cc(O)ccc21)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO/c1-12(13-4-2-6-15(19)10-13)20-18-7-3-5-14-11-16(21)8-9-17(14)18/h2,4,6,8-12,18,20-21H,3,5,7H2,1H3/t12-,18?/m0/s1
InChIKeyBTCOVZVILUUBIP-RSXQAXDFSA-N
XLogP4.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-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

5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81347712
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81372732
5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81369563
N-[1-(3-bromophenyl)ethyl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687055
N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148988
1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682339
N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981009
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115903537
N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418519
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 81382181) is 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is C[C@H](NC1CCCc2cc(O)ccc21)c1cccc(Br)c1.
What is the InChIKey of 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is BTCOVZVILUUBIP-RSXQAXDFSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12(13-4-2-6-15(19)10-13)20-18-7-3-5-14-11-16(21)8-9-17(14)18/h2,4,6,8-12,18,20-21H,3,5,7H2,1H3/t12-,18?/m0/s1.
What are the key properties of 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 346.27 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 81382181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).