1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine

C13H19NO — CID 117293808

IUPAC1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
SMILESCOCc1cccc(C2(C(C)N)CC2)c1
InChIInChI=1S/C13H19NO/c1-10(14)13(6-7-13)12-5-3-4-11(8-12)9-15-2/h3-5,8,10H,6-7,9,14H2,1-2H3
InChIKeyASXJDLNODOKOSI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds4

About 1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine

1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117293808) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
PubChem CID117293808
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
SMILESCOCc1cccc(C2(C(C)N)CC2)c1
InChIInChI=1S/C13H19NO/c1-10(14)13(6-7-13)12-5-3-4-11(8-12)9-15-2/h3-5,8,10H,6-7,9,14H2,1-2H3
InChIKeyASXJDLNODOKOSI-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-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
CID 117343526
1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine
CID 117363303
1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine
CID 117282705
1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117343261
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569
1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117355034
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786
3-[1-(1-aminoethyl)cyclopropyl]benzonitrile
CID 117280517
1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117386287
1-[1-(3-cyclopropyloxyphenyl)cyclopropyl]ethanamine
CID 117309977
2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one
CID 117368198

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine (CID 117293808) is 1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine is COCc1cccc(C2(C(C)N)CC2)c1.
What is the InChIKey of 1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is ASXJDLNODOKOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(14)13(6-7-13)12-5-3-4-11(8-12)9-15-2/h3-5,8,10H,6-7,9,14H2,1-2H3.
What are the key properties of 1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine 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 1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117293808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).