2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol

C20H25NO2 — CID 117496323

IUPAC2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol
SMILESNCC1(c2cccc(OCc3ccccc3)c2O)CCCCC1
InChIInChI=1S/C20H25NO2/c21-15-20(12-5-2-6-13-20)17-10-7-11-18(19(17)22)23-14-16-8-3-1-4-9-16/h1,3-4,7-11,22H,2,5-6,12-15,21H2
InChIKeyYMHNGGIJLNGYML-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.13
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol

2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol (PubChem CID 117496323) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol
PubChem CID117496323
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol
SMILESNCC1(c2cccc(OCc3ccccc3)c2O)CCCCC1
InChIInChI=1S/C20H25NO2/c21-15-20(12-5-2-6-13-20)17-10-7-11-18(19(17)22)23-14-16-8-3-1-4-9-16/h1,3-4,7-11,22H,2,5-6,12-15,21H2
InChIKeyYMHNGGIJLNGYML-UHFFFAOYSA-N
XLogP4.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117497648
1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117457732
[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
CID 117498798
2-(1-isocyanatocyclobutyl)-6-phenylmethoxyphenol
CID 117476020
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817
2-(aminomethyl)-6-phenylmethoxyphenol
CID 117330545
2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
CID 117313437
5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 10341137
2-[[4-(aminomethyl)phenyl]methoxy]phenol
CID 105486618
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377419
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol (CID 117496323) is 2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol is NCC1(c2cccc(OCc3ccccc3)c2O)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol?
The InChIKey is YMHNGGIJLNGYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c21-15-20(12-5-2-6-13-20)17-10-7-11-18(19(17)22)23-14-16-8-3-1-4-9-16/h1,3-4,7-11,22H,2,5-6,12-15,21H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol?
2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol has a molecular weight of 311.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol is sourced from PubChem (CID 117496323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).