(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol

C23H33NO2 — CID 46196153

IUPAC(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESCCCCC1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1
InChIInChI=1S/C23H33NO2/c1-3-4-5-17-6-11-21(12-7-17)26-22-13-9-18-14-20(23(2,24)16-25)10-8-19(18)15-22/h8-10,13-15,17,21,25H,3-7,11-12,16,24H2,1-2H3/t17?,21?,23-/m0/s1
InChIKeyMDKFBFIRRUQMLA-WJXHAUQLSA-N
MW355.52 g/mol
LogP5.13
Rot. Bonds7

About (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol

(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (PubChem CID 46196153) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
PubChem CID46196153
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESCCCCC1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1
InChIInChI=1S/C23H33NO2/c1-3-4-5-17-6-11-21(12-7-17)26-22-13-9-18-14-20(23(2,24)16-25)10-8-19(18)15-22/h8-10,13-15,17,21,25H,3-7,11-12,16,24H2,1-2H3/t17?,21?,23-/m0/s1
InChIKeyMDKFBFIRRUQMLA-WJXHAUQLSA-N
XLogP5.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol with MolForge

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Related Compounds

(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
(2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol
CID 46196212
2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol
CID 67530147
1-methyl-4-(4-pentylcyclohexyl)oxybenzene
CID 20667925
(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol
CID 67413963
(2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol
CID 46196317
1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene
CID 64764201
2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol
CID 67530457
(2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 71280398
2-(4-tert-butylcyclohexyl)oxy-6-(2,3-dimethylbutan-2-yl)naphthalene
CID 123570731

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (CID 46196153) is (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is CCCCC1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1.
What is the InChIKey of (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is MDKFBFIRRUQMLA-WJXHAUQLSA-N. The full InChI is InChI=1S/C23H33NO2/c1-3-4-5-17-6-11-21(12-7-17)26-22-13-9-18-14-20(23(2,24)16-25)10-8-19(18)15-22/h8-10,13-15,17,21,25H,3-7,11-12,16,24H2,1-2H3/t17?,21?,23-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 355.52 g/mol, XLogP of 5.13, 7 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-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).