1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine

C13H19NO — CID 105457986

IUPAC1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine
SMILESCOCc1ccc(CCC2(N)CC2)cc1
InChIInChI=1S/C13H19NO/c1-15-10-12-4-2-11(3-5-12)6-7-13(14)8-9-13/h2-5H,6-10,14H2,1H3
InChIKeyRTGGOYILXAGESL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine

1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine (PubChem CID 105457986) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine
PubChem CID105457986
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine
SMILESCOCc1ccc(CCC2(N)CC2)cc1
InChIInChI=1S/C13H19NO/c1-15-10-12-4-2-11(3-5-12)6-7-13(14)8-9-13/h2-5H,6-10,14H2,1H3
InChIKeyRTGGOYILXAGESL-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66025535
1-[3-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 83907225
4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
CID 65420963
1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine (CID 105457986) is 1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine is COCc1ccc(CCC2(N)CC2)cc1.
What is the InChIKey of 1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine?
The InChIKey is RTGGOYILXAGESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-10-12-4-2-11(3-5-12)6-7-13(14)8-9-13/h2-5H,6-10,14H2,1H3.
What are the key properties of 1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine?
1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105457986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).