4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol

C12H17NO2 — CID 117296210

IUPAC4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
SMILESCOc1cc(O)cc(C)c1CC1(N)CC1
InChIInChI=1S/C12H17NO2/c1-8-5-9(14)6-11(15-2)10(8)7-12(13)3-4-12/h5-6,14H,3-4,7,13H2,1-2H3
InChIKeyQOPXHYCBAQNTKR-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.74
Rot. Bonds3

About 4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol

4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol (PubChem CID 117296210) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol.

Molecular Properties

Compound Name4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
PubChem CID117296210
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
SMILESCOc1cc(O)cc(C)c1CC1(N)CC1
InChIInChI=1S/C12H17NO2/c1-8-5-9(14)6-11(15-2)10(8)7-12(13)3-4-12/h5-6,14H,3-4,7,13H2,1-2H3
InChIKeyQOPXHYCBAQNTKR-UHFFFAOYSA-N
XLogP1.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-methoxy-5-methylphenol
CID 117278760
1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117346889
1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
CID 117343091
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
CID 117329978
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604
4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol
CID 117428354
4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
CID 117301384
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol?
The IUPAC name of 4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol (CID 117296210) is 4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol.
What is the SMILES notation for 4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol?
The canonical SMILES for 4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol is COc1cc(O)cc(C)c1CC1(N)CC1.
What is the InChIKey of 4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol?
The InChIKey is QOPXHYCBAQNTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-9(14)6-11(15-2)10(8)7-12(13)3-4-12/h5-6,14H,3-4,7,13H2,1-2H3.
What are the key properties of 4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol?
4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol has a molecular weight of 207.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol is sourced from PubChem (CID 117296210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).