1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine

C14H23NO — CID 142361084

IUPAC1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine
SMILESCN.Cc1ccccc1OCC(C)C1CC1
InChIInChI=1S/C13H18O.CH5N/c1-10-5-3-4-6-13(10)14-9-11(2)12-7-8-12;1-2/h3-6,11-12H,7-9H2,1-2H3;2H2,1H3
InChIKeyFNZYIRMDLWHEOB-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine

1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine (PubChem CID 142361084) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine.

Molecular Properties

Compound Name1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine
PubChem CID142361084
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine
SMILESCN.Cc1ccccc1OCC(C)C1CC1
InChIInChI=1S/C13H18O.CH5N/c1-10-5-3-4-6-13(10)14-9-11(2)12-7-8-12;1-2/h3-6,11-12H,7-9H2,1-2H3;2H2,1H3
InChIKeyFNZYIRMDLWHEOB-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
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CID 103658614
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde
CID 87224645
3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol
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CID 59117156

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine?
The IUPAC name of 1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine (CID 142361084) is 1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine.
What is the SMILES notation for 1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine?
The canonical SMILES for 1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine is CN.Cc1ccccc1OCC(C)C1CC1.
What is the InChIKey of 1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine?
The InChIKey is FNZYIRMDLWHEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.CH5N/c1-10-5-3-4-6-13(10)14-9-11(2)12-7-8-12;1-2/h3-6,11-12H,7-9H2,1-2H3;2H2,1H3.
What are the key properties of 1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine?
1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine has a molecular weight of 221.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine is sourced from PubChem (CID 142361084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).