4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol

C15H23NO — CID 117339002

IUPAC4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1C1(CN)CC1
InChIInChI=1S/C15H23NO/c1-10-7-13(17)12(14(2,3)4)8-11(10)15(9-16)5-6-15/h7-8,17H,5-6,9,16H2,1-4H3
InChIKeyMTFWODMZSIWMGC-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds2

About 4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol

4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol (PubChem CID 117339002) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol
PubChem CID117339002
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1C1(CN)CC1
InChIInChI=1S/C15H23NO/c1-10-7-13(17)12(14(2,3)4)8-11(10)15(9-16)5-6-15/h7-8,17H,5-6,9,16H2,1-4H3
InChIKeyMTFWODMZSIWMGC-UHFFFAOYSA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 82296042
4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
CID 83695876
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
CID 117285302
2,4-ditert-butyl-5-methylphenol
CID 10346
4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol
CID 117313202
2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol
CID 117423583
2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol
CID 117452788
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
CID 117283669
methyl 5-[1-(aminomethyl)cyclopropyl]-2,4-dimethylbenzoate
CID 117338392

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol?
The IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol (CID 117339002) is 4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol is Cc1cc(O)c(C(C)(C)C)cc1C1(CN)CC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol?
The InChIKey is MTFWODMZSIWMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-7-13(17)12(14(2,3)4)8-11(10)15(9-16)5-6-15/h7-8,17H,5-6,9,16H2,1-4H3.
What are the key properties of 4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol?
4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol has a molecular weight of 233.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol is sourced from PubChem (CID 117339002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).