3-[(2-chlorophenyl)methylamino]propan-1-ol

C10H14ClNO — CID 3152201

IUPAC3-[(2-chlorophenyl)methylamino]propan-1-ol
SMILESOCCCNCc1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c11-10-5-2-1-4-9(10)8-12-6-3-7-13/h1-2,4-5,12-13H,3,6-8H2
InChIKeyDFDHIXJRENDGCN-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.81
Rot. Bonds5

About 3-[(2-chlorophenyl)methylamino]propan-1-ol

3-[(2-chlorophenyl)methylamino]propan-1-ol (PubChem CID 3152201) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]propan-1-ol
PubChem CID3152201
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-[(2-chlorophenyl)methylamino]propan-1-ol
SMILESOCCCNCc1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c11-10-5-2-1-4-9(10)8-12-6-3-7-13/h1-2,4-5,12-13H,3,6-8H2
InChIKeyDFDHIXJRENDGCN-UHFFFAOYSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2-chlorophenyl)methylamino]propan-1-ol 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 3-[(2-chlorophenyl)methylamino]propan-1-ol?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]propan-1-ol (CID 3152201) is 3-[(2-chlorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]propan-1-ol is OCCCNCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]propan-1-ol?
The InChIKey is DFDHIXJRENDGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-10-5-2-1-4-9(10)8-12-6-3-7-13/h1-2,4-5,12-13H,3,6-8H2.
What are the key properties of 3-[(2-chlorophenyl)methylamino]propan-1-ol?
3-[(2-chlorophenyl)methylamino]propan-1-ol has a molecular weight of 199.68 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 3152201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).