formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine

C13H19NO2 — CID 69304750

IUPACformic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine
SMILESCc1ccccc1CCNC1CC1.O=CO
InChIInChI=1S/C12H17N.CH2O2/c1-10-4-2-3-5-11(10)8-9-13-12-6-7-12;2-1-3/h2-5,12-13H,6-9H2,1H3;1H,(H,2,3)
InChIKeyVKBHGVOBLSWIOE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.99
Rot. Bonds4

About formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine

formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine (PubChem CID 69304750) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound Nameformic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine
PubChem CID69304750
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameformic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine
SMILESCc1ccccc1CCNC1CC1.O=CO
InChIInChI=1S/C12H17N.CH2O2/c1-10-4-2-3-5-11(10)8-9-13-12-6-7-12;2-1-3/h2-5,12-13H,6-9H2,1H3;1H,(H,2,3)
InChIKeyVKBHGVOBLSWIOE-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine?
The IUPAC name of formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine (CID 69304750) is formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine is Cc1ccccc1CCNC1CC1.O=CO.
What is the InChIKey of formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine?
The InChIKey is VKBHGVOBLSWIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.CH2O2/c1-10-4-2-3-5-11(10)8-9-13-12-6-7-12;2-1-3/h2-5,12-13H,6-9H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine?
formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine has a molecular weight of 221.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[2-(2-methylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 69304750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).