[4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol

C15H23NO2 — CID 106938264

IUPAC[4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol
SMILESNC1(COCc2ccc(CO)cc2)CCCCC1
InChIInChI=1S/C15H23NO2/c16-15(8-2-1-3-9-15)12-18-11-14-6-4-13(10-17)5-7-14/h4-7,17H,1-3,8-12,16H2
InChIKeyXXDLKJHXTOLMHH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.36
Rot. Bonds5

About [4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol

[4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol (PubChem CID 106938264) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol
PubChem CID106938264
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol
SMILESNC1(COCc2ccc(CO)cc2)CCCCC1
InChIInChI=1S/C15H23NO2/c16-15(8-2-1-3-9-15)12-18-11-14-6-4-13(10-17)5-7-14/h4-7,17H,1-3,8-12,16H2
InChIKeyXXDLKJHXTOLMHH-UHFFFAOYSA-N
XLogP2.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
CID 64573531
1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine
CID 64551697
1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine
CID 64551292
1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 105404480
1-[(3,4-dimethoxyphenyl)methoxymethyl]cyclopentan-1-amine
CID 64572667
1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
CID 64571813
1-(quinolin-6-ylmethoxymethyl)cyclopentan-1-amine
CID 64573735
1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine
CID 64549560
1-[(2,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 64551910
1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine
CID 107307001
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine
CID 64571808

Frequently Asked Questions

What is the IUPAC name of [4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol?
The IUPAC name of [4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol (CID 106938264) is [4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol.
What is the SMILES notation for [4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol?
The canonical SMILES for [4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol is NC1(COCc2ccc(CO)cc2)CCCCC1.
What is the InChIKey of [4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol?
The InChIKey is XXDLKJHXTOLMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c16-15(8-2-1-3-9-15)12-18-11-14-6-4-13(10-17)5-7-14/h4-7,17H,1-3,8-12,16H2.
What are the key properties of [4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol?
[4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol is sourced from PubChem (CID 106938264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).