4-[1-(aminomethyl)cyclopropyl]-3-methylphenol

C11H15NO — CID 83695876

IUPAC4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
SMILESCc1cc(O)ccc1C1(CN)CC1
InChIInChI=1S/C11H15NO/c1-8-6-9(13)2-3-10(8)11(7-12)4-5-11/h2-3,6,13H,4-5,7,12H2,1H3
InChIKeyTWXPVWKDGSYVGI-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.69
Rot. Bonds2

About 4-[1-(aminomethyl)cyclopropyl]-3-methylphenol

4-[1-(aminomethyl)cyclopropyl]-3-methylphenol (PubChem CID 83695876) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopropyl]-3-methylphenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
PubChem CID83695876
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
SMILESCc1cc(O)ccc1C1(CN)CC1
InChIInChI=1S/C11H15NO/c1-8-6-9(13)2-3-10(8)11(7-12)4-5-11/h2-3,6,13H,4-5,7,12H2,1H3
InChIKeyTWXPVWKDGSYVGI-UHFFFAOYSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
CID 117283669
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
[4-(4-chloro-2-methylphenyl)oxan-4-yl]methanamine
CID 83824742
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311
4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol
CID 117339002
4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
CID 117285302
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol
CID 135183592
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
CID 117281665

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-3-methylphenol?
The IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-3-methylphenol (CID 83695876) is 4-[1-(aminomethyl)cyclopropyl]-3-methylphenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopropyl]-3-methylphenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclopropyl]-3-methylphenol is Cc1cc(O)ccc1C1(CN)CC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclopropyl]-3-methylphenol?
The InChIKey is TWXPVWKDGSYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-9(13)2-3-10(8)11(7-12)4-5-11/h2-3,6,13H,4-5,7,12H2,1H3.
What are the key properties of 4-[1-(aminomethyl)cyclopropyl]-3-methylphenol?
4-[1-(aminomethyl)cyclopropyl]-3-methylphenol has a molecular weight of 177.25 g/mol, XLogP of 1.69, 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]-3-methylphenol is sourced from PubChem (CID 83695876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).