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

C23H33NO2 — CID 46196171

IUPAC(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESCC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1
InChIInChI=1S/C23H33NO2/c1-22(2,3)18-8-11-20(12-9-18)26-21-10-6-16-13-19(23(4,24)15-25)7-5-17(16)14-21/h5-7,10,13-14,18,20,25H,8-9,11-12,15,24H2,1-4H3/t18?,20?,23-/m0/s1
InChIKeyJFUWLRJTENLPJN-PXLSRWGNSA-N
MW355.52 g/mol
LogP4.99
Rot. Bonds4

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

(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (PubChem CID 46196171) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
PubChem CID46196171
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESCC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1
InChIInChI=1S/C23H33NO2/c1-22(2,3)18-8-11-20(12-9-18)26-21-10-6-16-13-19(23(4,24)15-25)7-5-17(16)14-21/h5-7,10,13-14,18,20,25H,8-9,11-12,15,24H2,1-4H3/t18?,20?,23-/m0/s1
InChIKeyJFUWLRJTENLPJN-PXLSRWGNSA-N
XLogP4.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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

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Related Compounds

3-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]propanoic acid
CID 77847762
(6-Propoxy-2-naphthyl)-2-aminopropane
CID 44590295
[(1R,3S)-1-amino-3-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877404
[(1R,3S)-1-amino-3-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877582
(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine
CID 153061504
[(1R,3S)-1-amino-3-[(6S)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 162643226
[(1R,3S)-1-amino-3-[6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 162665086
[(1R,3S)-1-amino-3-[6-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 162667046
[(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 162670374
Cyclohexyl(6-ethoxynaphthalen-2-yl)methanol
CID 608459
(6-Butoxy-2-naphthyl)-2-aminopropane
CID 44590779
(6-Benzyloxy-2-naphthyl)-2-aminopropane
CID 44590780

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (CID 46196171) is (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is CC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1.
What is the InChIKey of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is JFUWLRJTENLPJN-PXLSRWGNSA-N. The full InChI is InChI=1S/C23H33NO2/c1-22(2,3)18-8-11-20(12-9-18)26-21-10-6-16-13-19(23(4,24)15-25)7-5-17(16)14-21/h5-7,10,13-14,18,20,25H,8-9,11-12,15,24H2,1-4H3/t18?,20?,23-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 355.52 g/mol, XLogP of 4.99, 4 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-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).