2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol

C14H22ClNO3 — CID 114319540

IUPAC2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol
SMILESCCCNCc1c(Cl)cccc1OCCOCCO
InChIInChI=1S/C14H22ClNO3/c1-2-6-16-11-12-13(15)4-3-5-14(12)19-10-9-18-8-7-17/h3-5,16-17H,2,6-11H2,1H3
InChIKeyJOHMZXDZXASUFV-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.23
Rot. Bonds10

About 2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol

2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol (PubChem CID 114319540) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol
PubChem CID114319540
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol
SMILESCCCNCc1c(Cl)cccc1OCCOCCO
InChIInChI=1S/C14H22ClNO3/c1-2-6-16-11-12-13(15)4-3-5-14(12)19-10-9-18-8-7-17/h3-5,16-17H,2,6-11H2,1H3
InChIKeyJOHMZXDZXASUFV-UHFFFAOYSA-N
XLogP2.23
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
CID 106437071
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[2-chloro-6-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114319406
methyl 3-[3-chloro-2-(propylaminomethyl)phenoxy]-2,2-dimethylpropanoate
CID 114319500
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 114320040
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol
CID 116689707
1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol
CID 22382209
N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82940867

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol (CID 114319540) is 2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol is CCCNCc1c(Cl)cccc1OCCOCCO.
What is the InChIKey of 2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol?
The InChIKey is JOHMZXDZXASUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-2-6-16-11-12-13(15)4-3-5-14(12)19-10-9-18-8-7-17/h3-5,16-17H,2,6-11H2,1H3.
What are the key properties of 2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol?
2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol has a molecular weight of 287.79 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 114319540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).