4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol

C16H25NO2 — CID 43761673

IUPAC4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
SMILESCC(C)Oc1ccc(CNC2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)19-16-9-3-13(4-10-16)11-17-14-5-7-15(18)8-6-14/h3-4,9-10,12,14-15,17-18H,5-8,11H2,1-2H3
InChIKeyGLGLIWPGFHHMRL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds5

About 4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol

4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 43761673) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID43761673
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
SMILESCC(C)Oc1ccc(CNC2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)19-16-9-3-13(4-10-16)11-17-14-5-7-15(18)8-6-14/h3-4,9-10,12,14-15,17-18H,5-8,11H2,1-2H3
InChIKeyGLGLIWPGFHHMRL-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 64733234
N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 115118837
4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 115149482
N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43277090
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 83228810
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol (CID 43761673) is 4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol is CC(C)Oc1ccc(CNC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is GLGLIWPGFHHMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)19-16-9-3-13(4-10-16)11-17-14-5-7-15(18)8-6-14/h3-4,9-10,12,14-15,17-18H,5-8,11H2,1-2H3.
What are the key properties of 4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol?
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43761673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).