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

C24H35NO2 — CID 46196226

IUPAC(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
SMILESCCC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1
InChIInChI=1S/C24H35NO2/c1-5-23(2,3)19-9-12-21(13-10-19)27-22-11-7-17-14-20(24(4,25)16-26)8-6-18(17)15-22/h6-8,11,14-15,19,21,26H,5,9-10,12-13,16,25H2,1-4H3/t19?,21?,24-/m0/s1
InChIKeyZIMQCUYQEBYZOC-HQOBLLPJSA-N
MW369.55 g/mol
LogP5.38
Rot. Bonds6

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

(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol (PubChem CID 46196226) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
PubChem CID46196226
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
SMILESCCC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1
InChIInChI=1S/C24H35NO2/c1-5-23(2,3)19-9-12-21(13-10-19)27-22-11-7-17-14-20(24(4,25)16-26)8-6-18(17)15-22/h6-8,11,14-15,19,21,26H,5,9-10,12-13,16,25H2,1-4H3/t19?,21?,24-/m0/s1
InChIKeyZIMQCUYQEBYZOC-HQOBLLPJSA-N
XLogP5.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]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-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol (CID 46196226) is (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol is CCC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)CC1.
What is the InChIKey of (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is ZIMQCUYQEBYZOC-HQOBLLPJSA-N. The full InChI is InChI=1S/C24H35NO2/c1-5-23(2,3)19-9-12-21(13-10-19)27-22-11-7-17-14-20(24(4,25)16-26)8-6-18(17)15-22/h6-8,11,14-15,19,21,26H,5,9-10,12-13,16,25H2,1-4H3/t19?,21?,24-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 369.55 g/mol, XLogP of 5.38, 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-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).