1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine

C12H17NO2 — CID 84779678

IUPAC1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine
SMILESCOC(OC)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C12H17NO2/c1-14-11(15-2)9-4-3-5-10(8-9)12(13)6-7-12/h3-5,8,11H,6-7,13H2,1-2H3
InChIKeyFALOFNRSRUEBFA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.93
Rot. Bonds4

About 1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine

1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine (PubChem CID 84779678) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine
PubChem CID84779678
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine
SMILESCOC(OC)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C12H17NO2/c1-14-11(15-2)9-4-3-5-10(8-9)12(13)6-7-12/h3-5,8,11H,6-7,13H2,1-2H3
InChIKeyFALOFNRSRUEBFA-UHFFFAOYSA-N
XLogP1.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine
CID 117112372
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
1-(3-propan-2-ylphenyl)cyclobutan-1-amine
CID 82603155
2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol
CID 115018663
1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine
CID 117112366
1-[3-(4-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 167713468
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
3-(1-aminocyclopropyl)phenol
CID 55296554
1-[3-(2-methoxyethoxy)phenyl]cyclopropan-1-amine
CID 165348196
2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one
CID 115055836
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine
CID 58902125

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine (CID 84779678) is 1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine is COC(OC)c1cccc(C2(N)CC2)c1.
What is the InChIKey of 1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine?
The InChIKey is FALOFNRSRUEBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-11(15-2)9-4-3-5-10(8-9)12(13)6-7-12/h3-5,8,11H,6-7,13H2,1-2H3.
What are the key properties of 1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine?
1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine has a molecular weight of 207.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84779678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).