1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine

C12H18N2O — CID 141324202

IUPAC1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine
SMILESCNCCOc1ccccc1C1(N)CC1
InChIInChI=1S/C12H18N2O/c1-14-8-9-15-11-5-3-2-4-10(11)12(13)6-7-12/h2-5,14H,6-9,13H2,1H3
InChIKeyGSYKDPJNXADHSZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.23
Rot. Bonds5

About 1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine

1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine (PubChem CID 141324202) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine
PubChem CID141324202
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine
SMILESCNCCOc1ccccc1C1(N)CC1
InChIInChI=1S/C12H18N2O/c1-14-8-9-15-11-5-3-2-4-10(11)12(13)6-7-12/h2-5,14H,6-9,13H2,1H3
InChIKeyGSYKDPJNXADHSZ-UHFFFAOYSA-N
XLogP1.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine (CID 141324202) is 1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine is CNCCOc1ccccc1C1(N)CC1.
What is the InChIKey of 1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine?
The InChIKey is GSYKDPJNXADHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-8-9-15-11-5-3-2-4-10(11)12(13)6-7-12/h2-5,14H,6-9,13H2,1H3.
What are the key properties of 1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine?
1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine is sourced from PubChem (CID 141324202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).