1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine

C15H21NO — CID 117118334

IUPAC1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine
SMILESCOC1(c2ccccc2C2(C(C)N)CC2)CC1
InChIInChI=1S/C15H21NO/c1-11(16)14(7-8-14)12-5-3-4-6-13(12)15(17-2)9-10-15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyIKIWDTYRQPUFOW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.70
Rot. Bonds4

About 1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine

1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117118334) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine
PubChem CID117118334
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine
SMILESCOC1(c2ccccc2C2(C(C)N)CC2)CC1
InChIInChI=1S/C15H21NO/c1-11(16)14(7-8-14)12-5-3-4-6-13(12)15(17-2)9-10-15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyIKIWDTYRQPUFOW-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine (CID 117118334) is 1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine is COC1(c2ccccc2C2(C(C)N)CC2)CC1.
What is the InChIKey of 1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is IKIWDTYRQPUFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(16)14(7-8-14)12-5-3-4-6-13(12)15(17-2)9-10-15/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine?
1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117118334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).