3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine

C23H31NO2 — CID 46196284

IUPAC3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine
SMILESCC(C)(C)C1CCC(Oc2ccc3cc(C4(N)COC4)ccc3c2)CC1
InChIInChI=1S/C23H31NO2/c1-22(2,3)18-7-10-20(11-8-18)26-21-9-5-16-12-19(6-4-17(16)13-21)23(24)14-25-15-23/h4-6,9,12-13,18,20H,7-8,10-11,14-15,24H2,1-3H3
InChIKeyHJAHLINETCUMNP-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.01
Rot. Bonds3

About 3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine

3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine (PubChem CID 46196284) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine.

Molecular Properties

Compound Name3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine
PubChem CID46196284
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine
SMILESCC(C)(C)C1CCC(Oc2ccc3cc(C4(N)COC4)ccc3c2)CC1
InChIInChI=1S/C23H31NO2/c1-22(2,3)18-7-10-20(11-8-18)26-21-9-5-16-12-19(6-4-17(16)13-21)23(24)14-25-15-23/h4-6,9,12-13,18,20H,7-8,10-11,14-15,24H2,1-3H3
InChIKeyHJAHLINETCUMNP-UHFFFAOYSA-N
XLogP5.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-Ethoxy-2-naphthyl)-2-aminopropane
CID 44590294
(6-Propoxy-2-naphthyl)-2-aminopropane
CID 44590295
(3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine
CID 146709966
(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine
CID 153061504
(6-Butoxy-2-naphthyl)-2-aminopropane
CID 44590779
(6-Benzyloxy-2-naphthyl)-2-aminopropane
CID 44590780
N-Benzyl-(6-butoxy-2-naphthyl)-2-aminopropane
CID 44590783
2-(2,6-Dimethylphenoxy)-1-naphthalen-2-ylethanamine;hydrochloride
CID 164621825
2-Naphthalen-2-yloxy-1-phenylethanamine;hydrochloride
CID 164623933
3,3-Dimethyl-2,4-dihydrobenzo[g]chromen-4-amine
CID 168275104
2-Naphthalen-2-yloxy-1-phenylethanamine
CID 16794877
(R)-2-amino-2-(6-(cis-4-butylcyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)propan-1-ol
CID 45375826

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine?
The IUPAC name of 3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine (CID 46196284) is 3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine.
What is the SMILES notation for 3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine?
The canonical SMILES for 3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine is CC(C)(C)C1CCC(Oc2ccc3cc(C4(N)COC4)ccc3c2)CC1.
What is the InChIKey of 3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine?
The InChIKey is HJAHLINETCUMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-22(2,3)18-7-10-20(11-8-18)26-21-9-5-16-12-19(6-4-17(16)13-21)23(24)14-25-15-23/h4-6,9,12-13,18,20H,7-8,10-11,14-15,24H2,1-3H3.
What are the key properties of 3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine?
3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine has a molecular weight of 353.51 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]oxetan-3-amine is sourced from PubChem (CID 46196284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).