2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine

C17H20ClNO — CID 62458549

IUPAC2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine
SMILESCCNCC(Oc1ccc(Cl)cc1C)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-3-19-12-17(14-7-5-4-6-8-14)20-16-10-9-15(18)11-13(16)2/h4-11,17,19H,3,12H2,1-2H3
InChIKeyIBLHYAQVKRGDPY-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.38
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine

2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine (PubChem CID 62458549) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine
PubChem CID62458549
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine
SMILESCCNCC(Oc1ccc(Cl)cc1C)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-3-19-12-17(14-7-5-4-6-8-14)20-16-10-9-15(18)11-13(16)2/h4-11,17,19H,3,12H2,1-2H3
InChIKeyIBLHYAQVKRGDPY-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
CID 62460096
N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 62458732
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
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 63497564
3-(4-chloro-2-methylphenoxy)-4-oxobutanoic acid
CID 89113323
N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine
CID 62571241
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 107661150

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine (CID 62458549) is 2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine is CCNCC(Oc1ccc(Cl)cc1C)c1ccccc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine?
The InChIKey is IBLHYAQVKRGDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-19-12-17(14-7-5-4-6-8-14)20-16-10-9-15(18)11-13(16)2/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine?
2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 62458549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).