4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol

C15H17NO2 — CID 171269425

IUPAC4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
SMILESN[C@@H](c1ccc(O)c2ccccc12)[C@H](O)C1CC1
InChIInChI=1S/C15H17NO2/c16-14(15(18)9-5-6-9)12-7-8-13(17)11-4-2-1-3-10(11)12/h1-4,7-9,14-15,17-18H,5-6,16H2/t14-,15+/m0/s1
InChIKeyJLVBWBRZNVEUGC-LSDHHAIUSA-N
MW243.31 g/mol
LogP2.32
Rot. Bonds3

About 4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol

4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol (PubChem CID 171269425) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
PubChem CID171269425
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
SMILESN[C@@H](c1ccc(O)c2ccccc12)[C@H](O)C1CC1
InChIInChI=1S/C15H17NO2/c16-14(15(18)9-5-6-9)12-7-8-13(17)11-4-2-1-3-10(11)12/h1-4,7-9,14-15,17-18H,5-6,16H2/t14-,15+/m0/s1
InChIKeyJLVBWBRZNVEUGC-LSDHHAIUSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride
CID 171269428
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
CID 171263780
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
CID 171263774
4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
CID 171208917
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol
CID 171262376
(1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol
CID 171264796
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
4-(1-aminopropyl)naphthalen-1-ol
CID 82263143
4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
CID 171228462
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
CID 171268223

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol?
The IUPAC name of 4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol (CID 171269425) is 4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol is N[C@@H](c1ccc(O)c2ccccc12)[C@H](O)C1CC1.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol?
The InChIKey is JLVBWBRZNVEUGC-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H17NO2/c16-14(15(18)9-5-6-9)12-7-8-13(17)11-4-2-1-3-10(11)12/h1-4,7-9,14-15,17-18H,5-6,16H2/t14-,15+/m0/s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol?
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol is sourced from PubChem (CID 171269425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).