4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol

C20H25NO2 — CID 163349895

IUPAC4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H25NO2/c22-19-10-8-18(9-11-19)21-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-7,12-13,18-19,21-22H,8-11,14-15H2
InChIKeyVWEHMUWQMINCHL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.66
Rot. Bonds6

About 4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol

4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 163349895) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID163349895
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H25NO2/c22-19-10-8-18(9-11-19)21-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-7,12-13,18-19,21-22H,8-11,14-15H2
InChIKeyVWEHMUWQMINCHL-UHFFFAOYSA-N
XLogP3.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine
CID 155893915
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
CID 56796537
N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39366709
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol (CID 163349895) is 4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol is OC1CCC(NCc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is VWEHMUWQMINCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-19-10-8-18(9-11-19)21-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-7,12-13,18-19,21-22H,8-11,14-15H2.
What are the key properties of 4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol?
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 163349895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).