[1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine

C14H21NO — CID 131427745

IUPAC[1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCOc1ccc(C)cc1C1(CN)CC1(C)C
InChIInChI=1S/C14H21NO/c1-10-5-6-12(16-4)11(7-10)14(9-15)8-13(14,2)3/h5-7H,8-9,15H2,1-4H3
InChIKeyWSIHSGPATRQFMD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.63
Rot. Bonds3

About [1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine

[1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 131427745) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID131427745
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCOc1ccc(C)cc1C1(CN)CC1(C)C
InChIInChI=1S/C14H21NO/c1-10-5-6-12(16-4)11(7-10)14(9-15)8-13(14,2)3/h5-7H,8-9,15H2,1-4H3
InChIKeyWSIHSGPATRQFMD-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine
CID 65005141
2-[1-(2-methoxy-5-methylphenyl)cyclopentyl]ethanamine
CID 82082897
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487485
[2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 79017649
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
[1-(3,5-dimethylphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 131460343
1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 43119027
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
1-[1-(2-methoxy-5-methylphenyl)cyclopropyl]ethanol
CID 83687634
4-(2-methoxy-5-methylphenyl)-1-propylpiperidin-4-ol
CID 55120385
1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine
CID 82132905

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine (CID 131427745) is [1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine is COc1ccc(C)cc1C1(CN)CC1(C)C.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is WSIHSGPATRQFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-6-12(16-4)11(7-10)14(9-15)8-13(14,2)3/h5-7H,8-9,15H2,1-4H3.
What are the key properties of [1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
[1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 131427745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).