1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine

C13H20N2O2 — CID 80560810

IUPAC1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
SMILESCOCCOc1ccc(NC2CC(N)C2)cc1
InChIInChI=1S/C13H20N2O2/c1-16-6-7-17-13-4-2-11(3-5-13)15-12-8-10(14)9-12/h2-5,10,12,15H,6-9,14H2,1H3
InChIKeyHUHZNAAJGAYSHG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds6

About 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine

1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine (PubChem CID 80560810) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
PubChem CID80560810
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
SMILESCOCCOc1ccc(NC2CC(N)C2)cc1
InChIInChI=1S/C13H20N2O2/c1-16-6-7-17-13-4-2-11(3-5-13)15-12-8-10(14)9-12/h2-5,10,12,15H,6-9,14H2,1H3
InChIKeyHUHZNAAJGAYSHG-UHFFFAOYSA-N
XLogP1.61
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine 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

1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine
CID 80559905
4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol
CID 106594080
N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine
CID 79942281
N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline
CID 80705000
1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine
CID 80559283
1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine
CID 106504373
4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
N-[4-(2-methoxyethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43788885
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
CID 79731299
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
CID 80559709
4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine
CID 19693936

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine (CID 80560810) is 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine is COCCOc1ccc(NC2CC(N)C2)cc1.
What is the InChIKey of 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine?
The InChIKey is HUHZNAAJGAYSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-6-7-17-13-4-2-11(3-5-13)15-12-8-10(14)9-12/h2-5,10,12,15H,6-9,14H2,1H3.
What are the key properties of 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine?
1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine has a molecular weight of 236.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80560810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).