N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine

C17H27NO2 — CID 61484058

IUPACN-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCC(C)CCOCCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C17H27NO2/c1-14(2)8-9-19-10-11-20-17-5-3-4-15(12-17)13-18-16-6-7-16/h3-5,12,14,16,18H,6-11,13H2,1-2H3
InChIKeySKMMKUNFXFIBPT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.38
Rot. Bonds10

About N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine

N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 61484058) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID61484058
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCC(C)CCOCCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C17H27NO2/c1-14(2)8-9-19-10-11-20-17-5-3-4-15(12-17)13-18-16-6-7-16/h3-5,12,14,16,18H,6-11,13H2,1-2H3
InChIKeySKMMKUNFXFIBPT-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.38
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-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine
CID 112839371
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491649
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine (CID 61484058) is N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine is CC(C)CCOCCOc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is SKMMKUNFXFIBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(2)8-9-19-10-11-20-17-5-3-4-15(12-17)13-18-16-6-7-16/h3-5,12,14,16,18H,6-11,13H2,1-2H3.
What are the key properties of N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61484058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).