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

C23H33NO2 — CID 46196243

IUPAC(2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESCCC(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1
InChIInChI=1S/C23H33NO2/c1-4-16(2)17-6-10-21(11-7-17)26-22-12-8-18-13-20(23(3,24)15-25)9-5-19(18)14-22/h5,8-9,12-14,16-17,21,25H,4,6-7,10-11,15,24H2,1-3H3/t16?,17?,21?,23-/m0/s1
InChIKeyJSTBJTFAKQJECR-WPSMFGTASA-N
MW355.52 g/mol
LogP4.99
Rot. Bonds6

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

(2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (PubChem CID 46196243) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
PubChem CID46196243
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name(2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESCCC(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1
InChIInChI=1S/C23H33NO2/c1-4-16(2)17-6-10-21(11-7-17)26-22-12-8-18-13-20(23(3,24)15-25)9-5-19(18)14-22/h5,8-9,12-14,16-17,21,25H,4,6-7,10-11,15,24H2,1-3H3/t16?,17?,21?,23-/m0/s1
InChIKeyJSTBJTFAKQJECR-WPSMFGTASA-N
XLogP4.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (CID 46196243) is (2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is CCC(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1.
What is the InChIKey of (2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is JSTBJTFAKQJECR-WPSMFGTASA-N. The full InChI is InChI=1S/C23H33NO2/c1-4-16(2)17-6-10-21(11-7-17)26-22-12-8-18-13-20(23(3,24)15-25)9-5-19(18)14-22/h5,8-9,12-14,16-17,21,25H,4,6-7,10-11,15,24H2,1-3H3/t16?,17?,21?,23-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 355.52 g/mol, XLogP of 4.99, 6 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-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).