1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine

C13H17NO — CID 117112388

IUPAC1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine
SMILESCOC1(c2ccc(C3(N)CC3)cc2)CC1
InChIInChI=1S/C13H17NO/c1-15-13(8-9-13)11-4-2-10(3-5-11)12(14)6-7-12/h2-5H,6-9,14H2,1H3
InChIKeyJARLSBAVKZWZRX-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.27
Rot. Bonds3

About 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine

1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine (PubChem CID 117112388) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine
PubChem CID117112388
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine
SMILESCOC1(c2ccc(C3(N)CC3)cc2)CC1
InChIInChI=1S/C13H17NO/c1-15-13(8-9-13)11-4-2-10(3-5-11)12(14)6-7-12/h2-5H,6-9,14H2,1H3
InChIKeyJARLSBAVKZWZRX-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine (CID 117112388) is 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine is COC1(c2ccc(C3(N)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine?
The InChIKey is JARLSBAVKZWZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-13(8-9-13)11-4-2-10(3-5-11)12(14)6-7-12/h2-5H,6-9,14H2,1H3.
What are the key properties of 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine?
1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 117112388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).