1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine

C13H18ClNO3 — CID 117432335

IUPAC1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(OC2CCCOC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-16-15-8-10-4-5-13(12(14)7-10)18-11-3-2-6-17-9-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3
InChIKeyVINCKIYUWVWLAD-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.55
Rot. Bonds5

About 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine

1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine (PubChem CID 117432335) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
PubChem CID117432335
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(OC2CCCOC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-16-15-8-10-4-5-13(12(14)7-10)18-11-3-2-6-17-9-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3
InChIKeyVINCKIYUWVWLAD-UHFFFAOYSA-N
XLogP2.55
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine 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-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117452536
N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine
CID 107689071
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine (CID 117432335) is 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine is CONCc1ccc(OC2CCCOC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine?
The InChIKey is VINCKIYUWVWLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-16-15-8-10-4-5-13(12(14)7-10)18-11-3-2-6-17-9-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine?
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine has a molecular weight of 271.74 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117432335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).