2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol

C14H21NO2 — CID 3056578

IUPAC2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2CN)c1
InChIInChI=1S/C14H21NO2/c1-17-13-7-4-6-11(9-13)14(16)8-3-2-5-12(14)10-15/h4,6-7,9,12,16H,2-3,5,8,10,15H2,1H3
InChIKeyQNPPIKMBCJUUTG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds3

About 2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol

2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol (PubChem CID 3056578) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
PubChem CID3056578
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2CN)c1
InChIInChI=1S/C14H21NO2/c1-17-13-7-4-6-11(9-13)14(16)8-3-2-5-12(14)10-15/h4,6-7,9,12,16H,2-3,5,8,10,15H2,1H3
InChIKeyQNPPIKMBCJUUTG-UHFFFAOYSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol (CID 3056578) is 2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol is COc1cccc(C2(O)CCCCC2CN)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is QNPPIKMBCJUUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-13-7-4-6-11(9-13)14(16)8-3-2-5-12(14)10-15/h4,6-7,9,12,16H,2-3,5,8,10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol?
2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 3056578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).