(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol

C13H19NO2 — CID 116836231

IUPAC(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)C2(N)CC2)cc1C
InChIInChI=1S/C13H19NO2/c1-8-6-10(7-9(2)11(8)16-3)12(15)13(14)4-5-13/h6-7,12,15H,4-5,14H2,1-3H3
InChIKeyUSXYPLZLHYVHHT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds3

About (1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol

(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol (PubChem CID 116836231) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol
PubChem CID116836231
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)C2(N)CC2)cc1C
InChIInChI=1S/C13H19NO2/c1-8-6-10(7-9(2)11(8)16-3)12(15)13(14)4-5-13/h6-7,12,15H,4-5,14H2,1-3H3
InChIKeyUSXYPLZLHYVHHT-UHFFFAOYSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059
(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol
CID 116836167
[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
CID 116944258
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol
CID 131592478
(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107181845
1-(4-methoxy-3,5-dimethylphenyl)cyclopropan-1-ol
CID 117283028
1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
CID 116830247
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine
CID 116914148

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The IUPAC name of (1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol (CID 116836231) is (1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol.
What is the SMILES notation for (1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The canonical SMILES for (1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol is COc1c(C)cc(C(O)C2(N)CC2)cc1C.
What is the InChIKey of (1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The InChIKey is USXYPLZLHYVHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-6-10(7-9(2)11(8)16-3)12(15)13(14)4-5-13/h6-7,12,15H,4-5,14H2,1-3H3.
What are the key properties of (1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol has a molecular weight of 221.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 116836231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).