3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol

C14H21NO3 — CID 80562191

IUPAC3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCCC(N)C2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-17-11-5-6-12(13(8-11)18-2)14(16)7-3-4-10(15)9-14/h5-6,8,10,16H,3-4,7,9,15H2,1-2H3
InChIKeyNLPVOVKXHBBTLL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds3

About 3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol

3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol (PubChem CID 80562191) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol
PubChem CID80562191
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCCC(N)C2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-17-11-5-6-12(13(8-11)18-2)14(16)7-3-4-10(15)9-14/h5-6,8,10,16H,3-4,7,9,15H2,1-2H3
InChIKeyNLPVOVKXHBBTLL-UHFFFAOYSA-N
XLogP1.79
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol (CID 80562191) is 3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol is COc1ccc(C2(O)CCCC(N)C2)c(OC)c1.
What is the InChIKey of 3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol?
The InChIKey is NLPVOVKXHBBTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-11-5-6-12(13(8-11)18-2)14(16)7-3-4-10(15)9-14/h5-6,8,10,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of 3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol?
3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 80562191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).