[1-(3-methylphenoxy)cyclopropyl]methanamine

C11H15NO — CID 83920734

IUPAC[1-(3-methylphenoxy)cyclopropyl]methanamine
SMILESCc1cccc(OC2(CN)CC2)c1
InChIInChI=1S/C11H15NO/c1-9-3-2-4-10(7-9)13-11(8-12)5-6-11/h2-4,7H,5-6,8,12H2,1H3
InChIKeyUMGGLKBWLNOJBT-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.87
Rot. Bonds3

About [1-(3-methylphenoxy)cyclopropyl]methanamine

[1-(3-methylphenoxy)cyclopropyl]methanamine (PubChem CID 83920734) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [1-(3-methylphenoxy)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylphenoxy)cyclopropyl]methanamine
PubChem CID83920734
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[1-(3-methylphenoxy)cyclopropyl]methanamine
SMILESCc1cccc(OC2(CN)CC2)c1
InChIInChI=1S/C11H15NO/c1-9-3-2-4-10(7-9)13-11(8-12)5-6-11/h2-4,7H,5-6,8,12H2,1H3
InChIKeyUMGGLKBWLNOJBT-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-methoxyphenoxy)cyclopropyl]methanamine
CID 83920742
1-(3-methylphenoxy)cyclobutan-1-amine
CID 46835645
[1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine
CID 126973987
2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
CID 114199465
[1-(3-ethoxyphenoxy)cyclohexyl]methanamine
CID 94689943
1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
CID 83920700
[1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine
CID 94690530
N-[1-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119567192
2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane
CID 25232654
[4-(3-methylphenyl)thian-4-yl]methanamine
CID 83822688
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
(3-methylphenyl) 3-aminopropanoate
CID 82111471

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenoxy)cyclopropyl]methanamine?
The IUPAC name of [1-(3-methylphenoxy)cyclopropyl]methanamine (CID 83920734) is [1-(3-methylphenoxy)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-methylphenoxy)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-methylphenoxy)cyclopropyl]methanamine is Cc1cccc(OC2(CN)CC2)c1.
What is the InChIKey of [1-(3-methylphenoxy)cyclopropyl]methanamine?
The InChIKey is UMGGLKBWLNOJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-3-2-4-10(7-9)13-11(8-12)5-6-11/h2-4,7H,5-6,8,12H2,1H3.
What are the key properties of [1-(3-methylphenoxy)cyclopropyl]methanamine?
[1-(3-methylphenoxy)cyclopropyl]methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenoxy)cyclopropyl]methanamine is sourced from PubChem (CID 83920734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).