1-(2-chlorophenyl)-N-pentoxymethanamine

C12H18ClNO — CID 175257385

IUPAC1-(2-chlorophenyl)-N-pentoxymethanamine
SMILESCCCCCONCc1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-2-3-6-9-15-14-10-11-7-4-5-8-12(11)13/h4-5,7-8,14H,2-3,6,9-10H2,1H3
InChIKeyOBVOWHZRAIQAPB-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.55
Rot. Bonds7

About 1-(2-chlorophenyl)-N-pentoxymethanamine

1-(2-chlorophenyl)-N-pentoxymethanamine (PubChem CID 175257385) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-pentoxymethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-pentoxymethanamine
PubChem CID175257385
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name1-(2-chlorophenyl)-N-pentoxymethanamine
SMILESCCCCCONCc1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-2-3-6-9-15-14-10-11-7-4-5-8-12(11)13/h4-5,7-8,14H,2-3,6,9-10H2,1H3
InChIKeyOBVOWHZRAIQAPB-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chlorophenyl)-N-pentoxymethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-pentoxymethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-pentoxymethanamine (CID 175257385) is 1-(2-chlorophenyl)-N-pentoxymethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-pentoxymethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-pentoxymethanamine is CCCCCONCc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-pentoxymethanamine?
The InChIKey is OBVOWHZRAIQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-2-3-6-9-15-14-10-11-7-4-5-8-12(11)13/h4-5,7-8,14H,2-3,6,9-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-pentoxymethanamine?
1-(2-chlorophenyl)-N-pentoxymethanamine has a molecular weight of 227.74 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-pentoxymethanamine is sourced from PubChem (CID 175257385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).