N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine

C18H29NO2 — CID 106206080

IUPACN-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCOCCC2CCC2)c1
InChIInChI=1S/C18H29NO2/c1-2-10-19-15-17-7-4-8-18(14-17)21-13-12-20-11-9-16-5-3-6-16/h4,7-8,14,16,19H,2-3,5-6,9-13,15H2,1H3
InChIKeyAKZWGJYFKSGYGX-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.77
Rot. Bonds11

About N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine

N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 106206080) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine
PubChem CID106206080
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCOCCC2CCC2)c1
InChIInChI=1S/C18H29NO2/c1-2-10-19-15-17-7-4-8-18(14-17)21-13-12-20-11-9-16-5-3-6-16/h4,7-8,14,16,19H,2-3,5-6,9-13,15H2,1H3
InChIKeyAKZWGJYFKSGYGX-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine 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-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62458587
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
N-benzyl-2-(2-cyclobutylethoxy)ethanamine
CID 106206343
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine (CID 106206080) is N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCCOCCC2CCC2)c1.
What is the InChIKey of N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is AKZWGJYFKSGYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-10-19-15-17-7-4-8-18(14-17)21-13-12-20-11-9-16-5-3-6-16/h4,7-8,14,16,19H,2-3,5-6,9-13,15H2,1H3.
What are the key properties of N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine?
N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106206080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).