N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine

C17H25NO2 — CID 106205858

IUPACN-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESc1cc(OCCOCCC2CC2)ccc1CNC1CC1
InChIInChI=1S/C17H25NO2/c1-2-14(1)9-10-19-11-12-20-17-7-3-15(4-8-17)13-18-16-5-6-16/h3-4,7-8,14,16,18H,1-2,5-6,9-13H2
InChIKeyCGUWYPSOWHVCSI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.13
Rot. Bonds10

About N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine

N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 106205858) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID106205858
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESc1cc(OCCOCCC2CC2)ccc1CNC1CC1
InChIInChI=1S/C17H25NO2/c1-2-14(1)9-10-19-11-12-20-17-7-3-15(4-8-17)13-18-16-5-6-16/h3-4,7-8,14,16,18H,1-2,5-6,9-13H2
InChIKeyCGUWYPSOWHVCSI-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443056
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 106205797
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[[4-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106704511
4-[2-(2-cyclopropylethoxy)ethoxy]benzohydrazide
CID 106206530
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62439588
N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62417571

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine (CID 106205858) is N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine is c1cc(OCCOCCC2CC2)ccc1CNC1CC1.
What is the InChIKey of N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is CGUWYPSOWHVCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-14(1)9-10-19-11-12-20-17-7-3-15(4-8-17)13-18-16-5-6-16/h3-4,7-8,14,16,18H,1-2,5-6,9-13H2.
What are the key properties of N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 275.39 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106205858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).