[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol

C16H25NO2 — CID 79123286

IUPAC[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
SMILESCOCc1ccccc1C(O)C1(CN)CCCCC1
InChIInChI=1S/C16H25NO2/c1-19-11-13-7-3-4-8-14(13)15(18)16(12-17)9-5-2-6-10-16/h3-4,7-8,15,18H,2,5-6,9-12,17H2,1H3
InChIKeyYGIZXUICSRLDFX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds5

About [1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol

[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol (PubChem CID 79123286) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
PubChem CID79123286
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
SMILESCOCc1ccccc1C(O)C1(CN)CCCCC1
InChIInChI=1S/C16H25NO2/c1-19-11-13-7-3-4-8-14(13)15(18)16(12-17)9-5-2-6-10-16/h3-4,7-8,15,18H,2,5-6,9-12,17H2,1H3
InChIKeyYGIZXUICSRLDFX-UHFFFAOYSA-N
XLogP2.78
TPSA55.48 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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
CID 79137587
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
[1-(aminomethyl)cyclopentyl]-(2,5-dimethoxyphenyl)methanol
CID 79134964
[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79135689
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
3-[hydroxy-[2-(methoxymethyl)phenyl]methyl]-1,1-dioxothiolane-3-carbonitrile
CID 115338355
[1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol
CID 79138330
2-methoxy-1-[2-(methoxymethyl)phenyl]ethanol
CID 79567134
2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol
CID 105499407
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol
CID 79138474
[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol
CID 80603622
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol
CID 79126013

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol (CID 79123286) is [1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol is COCc1ccccc1C(O)C1(CN)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol?
The InChIKey is YGIZXUICSRLDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-19-11-13-7-3-4-8-14(13)15(18)16(12-17)9-5-2-6-10-16/h3-4,7-8,15,18H,2,5-6,9-12,17H2,1H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol?
[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol is sourced from PubChem (CID 79123286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).