[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol

C14H21NO2 — CID 115002126

IUPAC[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol
SMILESNCC1CCCCC1Oc1cccc(CO)c1
InChIInChI=1S/C14H21NO2/c15-9-12-5-1-2-7-14(12)17-13-6-3-4-11(8-13)10-16/h3-4,6,8,12,14,16H,1-2,5,7,9-10,15H2
InChIKeyUJCOFVDWZLECJL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.08
Rot. Bonds4

About [3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol

[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol (PubChem CID 115002126) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol.

Molecular Properties

Compound Name[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol
PubChem CID115002126
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol
SMILESNCC1CCCCC1Oc1cccc(CO)c1
InChIInChI=1S/C14H21NO2/c15-9-12-5-1-2-7-14(12)17-13-6-3-4-11(8-13)10-16/h3-4,6,8,12,14,16H,1-2,5,7,9-10,15H2
InChIKeyUJCOFVDWZLECJL-UHFFFAOYSA-N
XLogP2.08
TPSA55.48 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenoxy)cyclopentyl]methanamine
CID 43293996
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053616
(3-cyclopropyloxyphenyl)methanol
CID 57336629
[2-[(3-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 43329442
[2-[(3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 43428902
[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
CID 43621910
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine
CID 43294080
[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclopentyl]methanamine
CID 82239829
4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid
CID 117053471
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559

Frequently Asked Questions

What is the IUPAC name of [3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol?
The IUPAC name of [3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol (CID 115002126) is [3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol.
What is the SMILES notation for [3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol?
The canonical SMILES for [3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol is NCC1CCCCC1Oc1cccc(CO)c1.
What is the InChIKey of [3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol?
The InChIKey is UJCOFVDWZLECJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c15-9-12-5-1-2-7-14(12)17-13-6-3-4-11(8-13)10-16/h3-4,6,8,12,14,16H,1-2,5,7,9-10,15H2.
What are the key properties of [3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol?
[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol is sourced from PubChem (CID 115002126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).