2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol

C14H21NO2 — CID 60880419

IUPAC2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
SMILESCNCc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C14H21NO2/c1-15-10-11-6-8-12(9-7-11)17-14-5-3-2-4-13(14)16/h6-9,13-16H,2-5,10H2,1H3
InChIKeyCWWRMULFBNVVOJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds4

About 2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol

2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol (PubChem CID 60880419) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
PubChem CID60880419
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
SMILESCNCc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C14H21NO2/c1-15-10-11-6-8-12(9-7-11)17-14-5-3-2-4-13(14)16/h6-9,13-16H,2-5,10H2,1H3
InChIKeyCWWRMULFBNVVOJ-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol
CID 106940161
2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol
CID 106940170
2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol
CID 115494554
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine
CID 171418961
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
2-phenoxycyclooctan-1-ol
CID 22247671
2-[4-(methylaminomethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60881807
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
N-methyl-1-[4-(oxetan-3-yloxy)phenyl]methanamine
CID 83484226
2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol
CID 111477808

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol (CID 60880419) is 2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol is CNCc1ccc(OC2CCCCC2O)cc1.
What is the InChIKey of 2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol?
The InChIKey is CWWRMULFBNVVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-10-11-6-8-12(9-7-11)17-14-5-3-2-4-13(14)16/h6-9,13-16H,2-5,10H2,1H3.
What are the key properties of 2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol?
2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 60880419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).