3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol

C17H27NO2 — CID 103699790

IUPAC3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCC(C)Oc1ccccc1CNCC1CCCC(O)C1
InChIInChI=1S/C17H27NO2/c1-13(2)20-17-9-4-3-7-15(17)12-18-11-14-6-5-8-16(19)10-14/h3-4,7,9,13-14,16,18-19H,5-6,8,10-12H2,1-2H3
InChIKeyOCLJGPNKFSVIKH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.11
Rot. Bonds6

About 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699790) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103699790
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCC(C)Oc1ccccc1CNCC1CCCC(O)C1
InChIInChI=1S/C17H27NO2/c1-13(2)20-17-9-4-3-7-15(17)12-18-11-14-6-5-8-16(19)10-14/h3-4,7,9,13-14,16,18-19H,5-6,8,10-12H2,1-2H3
InChIKeyOCLJGPNKFSVIKH-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 63462925
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699782
3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103739382
3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215
3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147754
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
3-[[(2,4-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699981
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 103699790) is 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol is CC(C)Oc1ccccc1CNCC1CCCC(O)C1.
What is the InChIKey of 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is OCLJGPNKFSVIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)20-17-9-4-3-7-15(17)12-18-11-14-6-5-8-16(19)10-14/h3-4,7,9,13-14,16,18-19H,5-6,8,10-12H2,1-2H3.
What are the key properties of 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).