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

C22H31NO2 — CID 46196262

IUPAC(2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESCC(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1
InChIInChI=1S/C22H31NO2/c1-15(2)16-5-9-20(10-6-16)25-21-11-7-17-12-19(22(3,23)14-24)8-4-18(17)13-21/h4,7-8,11-13,15-16,20,24H,5-6,9-10,14,23H2,1-3H3/t16?,20?,22-/m0/s1
InChIKeyKAVYMBJYUOWHMH-STKUJCBHSA-N
MW341.50 g/mol
LogP4.60
Rot. Bonds5

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

(2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (PubChem CID 46196262) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
PubChem CID46196262
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name(2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESCC(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1
InChIInChI=1S/C22H31NO2/c1-15(2)16-5-9-20(10-6-16)25-21-11-7-17-12-19(22(3,23)14-24)8-4-18(17)13-21/h4,7-8,11-13,15-16,20,24H,5-6,9-10,14,23H2,1-3H3/t16?,20?,22-/m0/s1
InChIKeyKAVYMBJYUOWHMH-STKUJCBHSA-N
XLogP4.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196243
(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196242
(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196153
2-(4-propan-2-ylcyclohexyl)oxynaphthalene
CID 141348691
2-[6-(2-adamantyloxy)naphthalen-2-yl]-2-aminopropan-1-ol
CID 67531962
2-(4-tert-butylcyclohexyl)oxy-6-(2,3-dimethylbutan-2-yl)naphthalene
CID 123570731
2-amino-2-[6-(1-bicyclo[2.2.2]octanyloxy)naphthalen-2-yl]propan-1-ol
CID 67530147
(2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol
CID 46196212
(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol
CID 67413963
2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol
CID 67530457
2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol
CID 68605408
(2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol
CID 46196317

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (CID 46196262) is (2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is CC(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1.
What is the InChIKey of (2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is KAVYMBJYUOWHMH-STKUJCBHSA-N. The full InChI is InChI=1S/C22H31NO2/c1-15(2)16-5-9-20(10-6-16)25-21-11-7-17-12-19(22(3,23)14-24)8-4-18(17)13-21/h4,7-8,11-13,15-16,20,24H,5-6,9-10,14,23H2,1-3H3/t16?,20?,22-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 341.50 g/mol, XLogP of 4.60, 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-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).