[(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol

C22H27NO — CID 118877398

IUPAC[(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
SMILESN[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(c2ccccc2)C3)C1
InChIInChI=1S/C22H27NO/c23-22(15-24)11-10-21(14-22)20-9-8-18-12-17(6-7-19(18)13-20)16-4-2-1-3-5-16/h1-5,8-9,13,17,21,24H,6-7,10-12,14-15,23H2/t17?,21-,22+/m0/s1
InChIKeyPORYNGQUENZCNA-UOKKUGRISA-N
MW321.46 g/mol
LogP3.92
Rot. Bonds3

About [(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol

[(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (PubChem CID 118877398) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
PubChem CID118877398
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name[(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
SMILESN[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(c2ccccc2)C3)C1
InChIInChI=1S/C22H27NO/c23-22(15-24)11-10-21(14-22)20-9-8-18-12-17(6-7-19(18)13-20)16-4-2-1-3-5-16/h1-5,8-9,13,17,21,24H,6-7,10-12,14-15,23H2/t17?,21-,22+/m0/s1
InChIKeyPORYNGQUENZCNA-UOKKUGRISA-N
XLogP3.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (CID 118877398) is [(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is N[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(c2ccccc2)C3)C1.
What is the InChIKey of [(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The InChIKey is PORYNGQUENZCNA-UOKKUGRISA-N. The full InChI is InChI=1S/C22H27NO/c23-22(15-24)11-10-21(14-22)20-9-8-18-12-17(6-7-19(18)13-20)16-4-2-1-3-5-16/h1-5,8-9,13,17,21,24H,6-7,10-12,14-15,23H2/t17?,21-,22+/m0/s1.
What are the key properties of [(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
[(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol has a molecular weight of 321.46 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is sourced from PubChem (CID 118877398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).