2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine

C18H22ClNO — CID 63497723

IUPAC2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
SMILESCCNCC(Oc1ccc(Cl)c(CC)c1)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-3-14-12-16(10-11-17(14)19)21-18(13-20-4-2)15-8-6-5-7-9-15/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyPOZDTIAOQGELRF-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.63
Rot. Bonds7

About 2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine

2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine (PubChem CID 63497723) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
PubChem CID63497723
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
SMILESCCNCC(Oc1ccc(Cl)c(CC)c1)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-3-14-12-16(10-11-17(14)19)21-18(13-20-4-2)15-8-6-5-7-9-15/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyPOZDTIAOQGELRF-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichlorophenoxy)-2-phenylethyl]propan-1-amine
CID 63498262
2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
CID 62460096
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
CID 62485185
N-[2-(4-chloro-3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63490256
2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
CID 63498240
2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 82726931
2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine
CID 62458549
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
2-chloro-4-(1-phenylpropoxy)aniline
CID 89382790
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7642640

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine (CID 63497723) is 2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine is CCNCC(Oc1ccc(Cl)c(CC)c1)c1ccccc1.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine?
The InChIKey is POZDTIAOQGELRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-14-12-16(10-11-17(14)19)21-18(13-20-4-2)15-8-6-5-7-9-15/h5-12,18,20H,3-4,13H2,1-2H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine?
2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 63497723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).