[3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol

C18H29NO2 — CID 79638646

IUPAC[3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(Oc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H29NO2/c1-17(2,3)14-7-9-15(10-8-14)21-16-6-5-11-18(12-16,13-20)19-4/h7-10,16,19-20H,5-6,11-13H2,1-4H3
InChIKeyGVTNXLZZLALTKD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.26
Rot. Bonds4

About [3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol

[3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol (PubChem CID 79638646) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol
PubChem CID79638646
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(Oc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H29NO2/c1-17(2,3)14-7-9-15(10-8-14)21-16-6-5-11-18(12-16,13-20)19-4/h7-10,16,19-20H,5-6,11-13H2,1-4H3
InChIKeyGVTNXLZZLALTKD-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1r)-3-Amino-1-{3-[(2,6,6-Trimethylcyclohex-1-En-1-Yl)methoxy]phenyl}propan-1-Ol
CID 91666313
Rpe65-IN-1
CID 58027558
D 2343
CID 166295
1-(Tert-butylamino)-3-(3,4-dimethylphenoxy)butan-2-ol
CID 12415528
(+/-)-1-((1,1-Dimethyl-2-[4-(methyloxy)phenyl]ethyl)amino)-3-(phenyloxy)-2-propanol
CID 15461660
(+/-)-1-((1,1-Dimethyl-3-[4-(methyloxy)phenyl]propyl)amino)-3-(phenyloxy)-2-propanol
CID 22640808
4-(Methylaminomethyl)-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 68673207
2-Propanol, 1-(4-biphenylyloxy)-3-(isopropylamino)-, hydrochloride
CID 205906
3-Pyrrolidinol, 3-(m-benzyloxyphenyl)-2-methyl-, hydrochloride
CID 3051589
1-(Biphenyl-4-yloxy)-3-isopropylamino-propan-2-ol
CID 205907
2-[5-(2-Tert-butylphenoxy)pentylamino]ethanol
CID 2251058
1-(4-Biphenylyloxy)-3-(cyclopentylamino)-2-propanol hydrochloride
CID 2968591

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol?
The IUPAC name of [3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol (CID 79638646) is [3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol is CNC1(CO)CCCC(Oc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of [3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol?
The InChIKey is GVTNXLZZLALTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)14-7-9-15(10-8-14)21-16-6-5-11-18(12-16,13-20)19-4/h7-10,16,19-20H,5-6,11-13H2,1-4H3.
What are the key properties of [3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol?
[3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylphenoxy)-1-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 79638646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).