2-[2-(3-chlorophenyl)ethoxy]ethanamine

C10H14ClNO — CID 94766900

IUPAC2-[2-(3-chlorophenyl)ethoxy]ethanamine
SMILESNCCOCCc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c11-10-3-1-2-9(8-10)4-6-13-7-5-12/h1-3,8H,4-7,12H2
InChIKeyQIQOMZYDYFZEHQ-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.86
Rot. Bonds5

About 2-[2-(3-chlorophenyl)ethoxy]ethanamine

2-[2-(3-chlorophenyl)ethoxy]ethanamine (PubChem CID 94766900) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethoxy]ethanamine
PubChem CID94766900
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-[2-(3-chlorophenyl)ethoxy]ethanamine
SMILESNCCOCCc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c11-10-3-1-2-9(8-10)4-6-13-7-5-12/h1-3,8H,4-7,12H2
InChIKeyQIQOMZYDYFZEHQ-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
1-chloro-3-(3-fluoropropyl)benzene
CID 54201496
2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate
CID 91482736
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine
CID 95459676
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
4-(3-chlorophenyl)-1-methoxybutan-2-amine
CID 62321131
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
4-O-[2-(3-chlorophenyl)ethyl] 1-O-heptyl butanedioate
CID 91716065
3-(3-chlorophenyl)propyl 2-methylprop-2-enoate
CID 163407359
2-(3-chlorophenyl)ethyl pentanoate
CID 141256814

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(3-chlorophenyl)ethoxy]ethanamine (CID 94766900) is 2-[2-(3-chlorophenyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethoxy]ethanamine is NCCOCCc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethoxy]ethanamine?
The InChIKey is QIQOMZYDYFZEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-10-3-1-2-9(8-10)4-6-13-7-5-12/h1-3,8H,4-7,12H2.
What are the key properties of 2-[2-(3-chlorophenyl)ethoxy]ethanamine?
2-[2-(3-chlorophenyl)ethoxy]ethanamine has a molecular weight of 199.68 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethoxy]ethanamine is sourced from PubChem (CID 94766900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).