4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol

C19H19NO2 — CID 171263774

IUPAC4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
SMILESN[C@H](c1ccc(O)c2ccccc12)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C19H19NO2/c20-19(18(22)12-13-6-2-1-3-7-13)16-10-11-17(21)15-9-5-4-8-14(15)16/h1-11,18-19,21-22H,12,20H2/t18-,19+/m0/s1
InChIKeyICTYTFHFUYFZEW-RBUKOAKNSA-N
MW293.37 g/mol
LogP3.15
Rot. Bonds4

About 4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol

4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol (PubChem CID 171263774) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
PubChem CID171263774
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
SMILESN[C@H](c1ccc(O)c2ccccc12)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C19H19NO2/c20-19(18(22)12-13-6-2-1-3-7-13)16-10-11-17(21)15-9-5-4-8-14(15)16/h1-11,18-19,21-22H,12,20H2/t18-,19+/m0/s1
InChIKeyICTYTFHFUYFZEW-RBUKOAKNSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171269476
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
CID 171261356
3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,2-diol
CID 171261361
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,4-diol;hydrochloride
CID 171261394
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
CID 171269425
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol
CID 171266479
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171262573
(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171263945
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol
CID 171268024
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol
CID 171271661
(1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol
CID 171262225
4-(1-aminopropyl)naphthalen-1-ol
CID 82263143

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol?
The IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol (CID 171263774) is 4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol is N[C@H](c1ccc(O)c2ccccc12)[C@@H](O)Cc1ccccc1.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol?
The InChIKey is ICTYTFHFUYFZEW-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H19NO2/c20-19(18(22)12-13-6-2-1-3-7-13)16-10-11-17(21)15-9-5-4-8-14(15)16/h1-11,18-19,21-22H,12,20H2/t18-,19+/m0/s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol?
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol has a molecular weight of 293.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol is sourced from PubChem (CID 171263774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).