N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine

C16H25NO2 — CID 55077554

IUPACN-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)OCCOCc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(2)19-10-9-18-12-15-5-3-14(4-6-15)11-17-16-7-8-16/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyCUWALOGILUMCOY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.88
Rot. Bonds9

About N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine

N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 55077554) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID55077554
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)OCCOCc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(2)19-10-9-18-12-15-5-3-14(4-6-15)11-17-16-7-8-16/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyCUWALOGILUMCOY-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine
CID 62455416
N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
CID 62458464
N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
CID 82005381
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine
CID 106205781

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine (CID 55077554) is N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine is CC(C)OCCOCc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is CUWALOGILUMCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)19-10-9-18-12-15-5-3-14(4-6-15)11-17-16-7-8-16/h3-6,13,16-17H,7-12H2,1-2H3.
What are the key properties of N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine?
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 55077554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).