(2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one

C22H25NO3 — CID 22838235

IUPAC(2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CC[C@H]1CN[C@@H]1CC[C@@H](Oc2ccccc2)C1O
InChIInChI=1S/C22H25NO3/c24-21-16(11-10-15-6-4-5-9-18(15)21)14-23-19-12-13-20(22(19)25)26-17-7-2-1-3-8-17/h1-9,16,19-20,22-23,25H,10-14H2/t16-,19+,20+,22?/m0/s1
InChIKeyUIRLQJLAWKXCEJ-HYDVDZBRSA-N
MW351.45 g/mol
LogP2.99
Rot. Bonds5

About (2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one

(2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 22838235) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID22838235
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CC[C@H]1CN[C@@H]1CC[C@@H](Oc2ccccc2)C1O
InChIInChI=1S/C22H25NO3/c24-21-16(11-10-15-6-4-5-9-18(15)21)14-23-19-12-13-20(22(19)25)26-17-7-2-1-3-8-17/h1-9,16,19-20,22-23,25H,10-14H2/t16-,19+,20+,22?/m0/s1
InChIKeyUIRLQJLAWKXCEJ-HYDVDZBRSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 22838235) is (2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CC[C@H]1CN[C@@H]1CC[C@@H](Oc2ccccc2)C1O.
What is the InChIKey of (2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UIRLQJLAWKXCEJ-HYDVDZBRSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21-16(11-10-15-6-4-5-9-18(15)21)14-23-19-12-13-20(22(19)25)26-17-7-2-1-3-8-17/h1-9,16,19-20,22-23,25H,10-14H2/t16-,19+,20+,22?/m0/s1.
What are the key properties of (2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one?
(2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 351.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[[(1R,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 22838235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).