2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine

C16H26ClNO2 — CID 62597357

IUPAC2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H26ClNO2/c1-4-14-11-15(7-8-16(14)17)20-13(3)12-18-9-6-10-19-5-2/h7-8,11,13,18H,4-6,9-10,12H2,1-3H3
InChIKeyRTWFHBSPTGASDP-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.69
Rot. Bonds10

About 2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine

2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine (PubChem CID 62597357) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
PubChem CID62597357
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H26ClNO2/c1-4-14-11-15(7-8-16(14)17)20-13(3)12-18-9-6-10-19-5-2/h7-8,11,13,18H,4-6,9-10,12H2,1-3H3
InChIKeyRTWFHBSPTGASDP-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
CID 62485185
2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572748
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
CID 62598795
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
CID 62484830
N-(3-ethoxypropyl)-2-quinolin-7-yloxypropan-1-amine
CID 107315345
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
CID 63497723
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine (CID 62597357) is 2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine is CCOCCCNCC(C)Oc1ccc(Cl)c(CC)c1.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The InChIKey is RTWFHBSPTGASDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-4-14-11-15(7-8-16(14)17)20-13(3)12-18-9-6-10-19-5-2/h7-8,11,13,18H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine is sourced from PubChem (CID 62597357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).