2-[(2-methylphenoxy)methyl]cyclopropan-1-amine

C11H15NO — CID 112547316

IUPAC2-[(2-methylphenoxy)methyl]cyclopropan-1-amine
SMILESCc1ccccc1OCC1CC1N
InChIInChI=1S/C11H15NO/c1-8-4-2-3-5-11(8)13-7-9-6-10(9)12/h2-5,9-10H,6-7,12H2,1H3
InChIKeyWCSCXHYOIOEXJR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.72
Rot. Bonds3

About 2-[(2-methylphenoxy)methyl]cyclopropan-1-amine

2-[(2-methylphenoxy)methyl]cyclopropan-1-amine (PubChem CID 112547316) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[(2-methylphenoxy)methyl]cyclopropan-1-amine
PubChem CID112547316
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-[(2-methylphenoxy)methyl]cyclopropan-1-amine
SMILESCc1ccccc1OCC1CC1N
InChIInChI=1S/C11H15NO/c1-8-4-2-3-5-11(8)13-7-9-6-10(9)12/h2-5,9-10H,6-7,12H2,1H3
InChIKeyWCSCXHYOIOEXJR-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
ethane;2-[(2-methylphenoxy)methyl]thiirane
CID 144517451
3-[(2-methylphenoxy)methyl]oxetane
CID 116820110
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
ethene;(2-methylphenoxy)methanamine
CID 174405951
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
3-[(2-methylphenoxy)methyl]-7-oxabicyclo[4.1.0]heptane
CID 23111982
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane
CID 89175993
4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 103576944
1-tert-butyl-2,5-bis[(2-methylphenoxy)methyl]pyrrolidine
CID 170173282
(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane
CID 71365815

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)methyl]cyclopropan-1-amine?
The IUPAC name of 2-[(2-methylphenoxy)methyl]cyclopropan-1-amine (CID 112547316) is 2-[(2-methylphenoxy)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[(2-methylphenoxy)methyl]cyclopropan-1-amine?
The canonical SMILES for 2-[(2-methylphenoxy)methyl]cyclopropan-1-amine is Cc1ccccc1OCC1CC1N.
What is the InChIKey of 2-[(2-methylphenoxy)methyl]cyclopropan-1-amine?
The InChIKey is WCSCXHYOIOEXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-2-3-5-11(8)13-7-9-6-10(9)12/h2-5,9-10H,6-7,12H2,1H3.
What are the key properties of 2-[(2-methylphenoxy)methyl]cyclopropan-1-amine?
2-[(2-methylphenoxy)methyl]cyclopropan-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenoxy)methyl]cyclopropan-1-amine is sourced from PubChem (CID 112547316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).