1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol

C18H29NO2 — CID 65208762

IUPAC1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCC(C)(C)NCc1ccccc1OCC1(O)CCCCC1
InChIInChI=1S/C18H29NO2/c1-17(2,3)19-13-15-9-5-6-10-16(15)21-14-18(20)11-7-4-8-12-18/h5-6,9-10,19-20H,4,7-8,11-14H2,1-3H3
InChIKeyJEJVAUQPVMKFPF-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.65
Rot. Bonds5

About 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol

1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208762) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
PubChem CID65208762
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCC(C)(C)NCc1ccccc1OCC1(O)CCCCC1
InChIInChI=1S/C18H29NO2/c1-17(2,3)19-13-15-9-5-6-10-16(15)21-14-18(20)11-7-4-8-12-18/h5-6,9-10,19-20H,4,7-8,11-14H2,1-3H3
InChIKeyJEJVAUQPVMKFPF-UHFFFAOYSA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 65210710
1-[[2-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208309
1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213996
2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide
CID 110922665
1-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 107695107
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111104097
1-[(2-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65213064
2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63063933
1-[[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 114319761
2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide
CID 63062382

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol (CID 65208762) is 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol is CC(C)(C)NCc1ccccc1OCC1(O)CCCCC1.
What is the InChIKey of 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is JEJVAUQPVMKFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)19-13-15-9-5-6-10-16(15)21-14-18(20)11-7-4-8-12-18/h5-6,9-10,19-20H,4,7-8,11-14H2,1-3H3.
What are the key properties of 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol?
1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).