(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol

C19H23NO — CID 107862596

IUPAC(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
SMILESOC[C@H](NC1CCCCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H23NO/c21-14-19(16-10-2-1-3-11-16)20-18-13-7-5-9-15-8-4-6-12-17(15)18/h1-4,6,8,10-12,18-21H,5,7,9,13-14H2/t18?,19-/m0/s1
InChIKeyVAGGCJJBFMZQHA-GGYWPGCISA-N
MW281.40 g/mol
LogP3.78
Rot. Bonds4

About (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol

(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol (PubChem CID 107862596) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
PubChem CID107862596
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
SMILESOC[C@H](NC1CCCCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H23NO/c21-14-19(16-10-2-1-3-11-16)20-18-13-7-5-9-15-8-4-6-12-17(15)18/h1-4,6,8,10-12,18-21H,5,7,9,13-14H2/t18?,19-/m0/s1
InChIKeyVAGGCJJBFMZQHA-GGYWPGCISA-N
XLogP3.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol with MolForge

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Related Compounds

(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
CID 102372507
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 81339043
1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107862522
(2R)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-phenylethanol
CID 103788778
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
CID 69382831
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227
N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63449232
4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol
CID 106349083

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol?
The IUPAC name of (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol (CID 107862596) is (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol?
The canonical SMILES for (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol is OC[C@H](NC1CCCCc2ccccc21)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol?
The InChIKey is VAGGCJJBFMZQHA-GGYWPGCISA-N. The full InChI is InChI=1S/C19H23NO/c21-14-19(16-10-2-1-3-11-16)20-18-13-7-5-9-15-8-4-6-12-17(15)18/h1-4,6,8,10-12,18-21H,5,7,9,13-14H2/t18?,19-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol?
(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol has a molecular weight of 281.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol is sourced from PubChem (CID 107862596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).