2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol

C12H18ClNO2 — CID 103992721

IUPAC2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
SMILESOCCOCCCNCc1ccccc1Cl
InChIInChI=1S/C12H18ClNO2/c13-12-5-2-1-4-11(12)10-14-6-3-8-16-9-7-15/h1-2,4-5,14-15H,3,6-10H2
InChIKeyAJLUFFUXLKFWJQ-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.83
Rot. Bonds8

About 2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol

2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol (PubChem CID 103992721) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
PubChem CID103992721
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
SMILESOCCOCCCNCc1ccccc1Cl
InChIInChI=1S/C12H18ClNO2/c13-12-5-2-1-4-11(12)10-14-6-3-8-16-9-7-15/h1-2,4-5,14-15H,3,6-10H2
InChIKeyAJLUFFUXLKFWJQ-UHFFFAOYSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(3-chloro-2-fluorophenyl)methylamino]propoxy]ethanol
CID 103992603
2-[3-[(2-chloro-4-methylphenyl)methylamino]propoxy]ethanol
CID 106309804
2-[3-[(2-chloro-6-fluorophenyl)methylamino]propoxy]ethanol
CID 103992408
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155290
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155147
2-[3-[(2,4,5-trifluorophenyl)methylamino]propoxy]ethanol
CID 103992547
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
3-butoxy-N-[(3-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 115695701
N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55031855

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol (CID 103992721) is 2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol is OCCOCCCNCc1ccccc1Cl.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol?
The InChIKey is AJLUFFUXLKFWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c13-12-5-2-1-4-11(12)10-14-6-3-8-16-9-7-15/h1-2,4-5,14-15H,3,6-10H2.
What are the key properties of 2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol?
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol has a molecular weight of 243.73 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol is sourced from PubChem (CID 103992721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).