[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine

C13H19NO — CID 115024182

IUPAC[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
SMILESCOC(C)C1(c2cccc(CN)c2)CC1
InChIInChI=1S/C13H19NO/c1-10(15-2)13(6-7-13)12-5-3-4-11(8-12)9-14/h3-5,8,10H,6-7,9,14H2,1-2H3
InChIKeyFMMUWXZPQJGHPS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds4

About [3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine

[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine (PubChem CID 115024182) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
PubChem CID115024182
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
SMILESCOC(C)C1(c2cccc(CN)c2)CC1
InChIInChI=1S/C13H19NO/c1-10(15-2)13(6-7-13)12-5-3-4-11(8-12)9-14/h3-5,8,10H,6-7,9,14H2,1-2H3
InChIKeyFMMUWXZPQJGHPS-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
CID 115047487
1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117293808
[3-(1-fluorocyclobutyl)phenyl]methanamine
CID 84718168
[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
CID 115039781
1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
CID 117343526
[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine
CID 115047146
[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154
4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene
CID 174508094
[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine
CID 105478163
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
(3-propan-2-ylphenyl)methanamine
CID 21085835
4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one
CID 105474443

Frequently Asked Questions

What is the IUPAC name of [3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine?
The IUPAC name of [3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine (CID 115024182) is [3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine.
What is the SMILES notation for [3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine?
The canonical SMILES for [3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine is COC(C)C1(c2cccc(CN)c2)CC1.
What is the InChIKey of [3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine?
The InChIKey is FMMUWXZPQJGHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15-2)13(6-7-13)12-5-3-4-11(8-12)9-14/h3-5,8,10H,6-7,9,14H2,1-2H3.
What are the key properties of [3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine?
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine is sourced from PubChem (CID 115024182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).