4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine

C15H23NO — CID 117115655

IUPAC4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine
SMILESCOCC1(c2ccccc2CCCCN)CC1
InChIInChI=1S/C15H23NO/c1-17-12-15(9-10-15)14-8-3-2-6-13(14)7-4-5-11-16/h2-3,6,8H,4-5,7,9-12,16H2,1H3
InChIKeyVNLOCVGNMDQRAF-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.65
Rot. Bonds7

About 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine

4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine (PubChem CID 117115655) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine
PubChem CID117115655
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine
SMILESCOCC1(c2ccccc2CCCCN)CC1
InChIInChI=1S/C15H23NO/c1-17-12-15(9-10-15)14-8-3-2-6-13(14)7-4-5-11-16/h2-3,6,8H,4-5,7,9-12,16H2,1H3
InChIKeyVNLOCVGNMDQRAF-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-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 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine?
The IUPAC name of 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine (CID 117115655) is 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine.
What is the SMILES notation for 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine?
The canonical SMILES for 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine is COCC1(c2ccccc2CCCCN)CC1.
What is the InChIKey of 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine?
The InChIKey is VNLOCVGNMDQRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-17-12-15(9-10-15)14-8-3-2-6-13(14)7-4-5-11-16/h2-3,6,8H,4-5,7,9-12,16H2,1H3.
What are the key properties of 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine?
4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine is sourced from PubChem (CID 117115655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).