(2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol

C21H23NO2 — CID 46196317

IUPAC(2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol
SMILESCCc1ccc(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)cc1
InChIInChI=1S/C21H23NO2/c1-3-15-4-9-19(10-5-15)24-20-11-7-16-12-18(21(2,22)14-23)8-6-17(16)13-20/h4-13,23H,3,14,22H2,1-2H3/t21-/m0/s1
InChIKeyBZVYSCNFVFCWQC-NRFANRHFSA-N
MW321.42 g/mol
LogP4.36
Rot. Bonds5

About (2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol

(2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol (PubChem CID 46196317) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol
PubChem CID46196317
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol
SMILESCCc1ccc(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)cc1
InChIInChI=1S/C21H23NO2/c1-3-15-4-9-19(10-5-15)24-20-11-7-16-12-18(21(2,22)14-23)8-6-17(16)13-20/h4-13,23H,3,14,22H2,1-2H3/t21-/m0/s1
InChIKeyBZVYSCNFVFCWQC-NRFANRHFSA-N
XLogP4.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol
CID 67530457
2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol
CID 67531962
2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol
CID 67530147
3-amino-3-(4-ethylphenyl)butan-1-ol
CID 65239511
(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196153
(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196242
(2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196262
(2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196243
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol (CID 46196317) is (2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol is CCc1ccc(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)cc1.
What is the InChIKey of (2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol?
The InChIKey is BZVYSCNFVFCWQC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-15-4-9-19(10-5-15)24-20-11-7-16-12-18(21(2,22)14-23)8-6-17(16)13-20/h4-13,23H,3,14,22H2,1-2H3/t21-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol has a molecular weight of 321.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).