2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine

C16H17Cl2NO — CID 62460096

IUPAC2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
SMILESCCNCC(Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-11-16(12-6-4-3-5-7-12)20-15-9-8-13(17)10-14(15)18/h3-10,16,19H,2,11H2,1H3
InChIKeyIQBTXACSSSAFEM-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.72
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine

2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine (PubChem CID 62460096) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
PubChem CID62460096
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
SMILESCCNCC(Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-11-16(12-6-4-3-5-7-12)20-15-9-8-13(17)10-14(15)18/h3-10,16,19H,2,11H2,1H3
InChIKeyIQBTXACSSSAFEM-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine
CID 62458549
2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
CID 63498240
N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 62451213
2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
CID 63497723
N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63495954
N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 62458732
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
CID 3012220
(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
CID 42233563
N-[2-(3,4-dichlorophenoxy)-2-phenylethyl]propan-1-amine
CID 63498262
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 27230023
2-butan-2-yloxy-N-ethyl-2-phenylethanamine
CID 62108738

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine (CID 62460096) is 2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine is CCNCC(Oc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine?
The InChIKey is IQBTXACSSSAFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-19-11-16(12-6-4-3-5-7-12)20-15-9-8-13(17)10-14(15)18/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine?
2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 62460096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).