[2-(1-methoxycyclopropyl)phenyl]methanamine

C11H15NO — CID 115014939

IUPAC[2-(1-methoxycyclopropyl)phenyl]methanamine
SMILESCOC1(c2ccccc2CN)CC1
InChIInChI=1S/C11H15NO/c1-13-11(6-7-11)10-5-3-2-4-9(10)8-12/h2-5H,6-8,12H2,1H3
InChIKeyVLLPOQOHIYDESS-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.78
Rot. Bonds3

About [2-(1-methoxycyclopropyl)phenyl]methanamine

[2-(1-methoxycyclopropyl)phenyl]methanamine (PubChem CID 115014939) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [2-(1-methoxycyclopropyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxycyclopropyl)phenyl]methanamine
PubChem CID115014939
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[2-(1-methoxycyclopropyl)phenyl]methanamine
SMILESCOC1(c2ccccc2CN)CC1
InChIInChI=1S/C11H15NO/c1-13-11(6-7-11)10-5-3-2-4-9(10)8-12/h2-5H,6-8,12H2,1H3
InChIKeyVLLPOQOHIYDESS-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-methoxycyclopropyl)phenyl]acetonitrile
CID 115110930
1-[[2-(1-methoxycyclopropyl)phenyl]methyl]piperazine
CID 117111632
1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine
CID 117112884
1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine
CID 117118334
[2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
CID 115039783
[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine
CID 84725142
1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile
CID 174949833
ethyl 2-[2-(1-methoxycyclopropyl)phenyl]-2-oxoacetate
CID 117108890
ethane;1-(1-methoxycyclopentyl)naphthalene
CID 91502072
[2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine
CID 115047157
2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid
CID 117115056
3-[2-(1-methoxycyclopropyl)phenyl]butanal
CID 117107522

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxycyclopropyl)phenyl]methanamine?
The IUPAC name of [2-(1-methoxycyclopropyl)phenyl]methanamine (CID 115014939) is [2-(1-methoxycyclopropyl)phenyl]methanamine.
What is the SMILES notation for [2-(1-methoxycyclopropyl)phenyl]methanamine?
The canonical SMILES for [2-(1-methoxycyclopropyl)phenyl]methanamine is COC1(c2ccccc2CN)CC1.
What is the InChIKey of [2-(1-methoxycyclopropyl)phenyl]methanamine?
The InChIKey is VLLPOQOHIYDESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-11(6-7-11)10-5-3-2-4-9(10)8-12/h2-5H,6-8,12H2,1H3.
What are the key properties of [2-(1-methoxycyclopropyl)phenyl]methanamine?
[2-(1-methoxycyclopropyl)phenyl]methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxycyclopropyl)phenyl]methanamine is sourced from PubChem (CID 115014939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).