cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol

C14H21NO2 — CID 10105488

IUPACcis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc([C@@]2(O)CCCC[C@@H]2CN)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/t12-,14+/m1/s1
InChIKeyQNPPIKMBCJUUTG-OCCSQVGLSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds3

About cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol

cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol (PubChem CID 10105488) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
PubChem CID10105488
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namecis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc([C@@]2(O)CCCC[C@@H]2CN)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/t12-,14+/m1/s1
InChIKeyQNPPIKMBCJUUTG-OCCSQVGLSA-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 cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol (CID 10105488) is cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol is COc1cccc([C@@]2(O)CCCC[C@@H]2CN)c1.
What is the InChIKey of cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is QNPPIKMBCJUUTG-OCCSQVGLSA-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/t12-,14+/m1/s1.
What are the key properties of cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol?
cis-(1R,2R)-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 cis-(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 10105488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).