2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine

C19H24ClNO2 — CID 20989901

IUPAC2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
SMILESCC(C)c1ccccc1OCCOc1ccc(Cl)cc1CCN
InChIInChI=1S/C19H24ClNO2/c1-14(2)17-5-3-4-6-19(17)23-12-11-22-18-8-7-16(20)13-15(18)9-10-21/h3-8,13-14H,9-12,21H2,1-2H3
InChIKeyIYEHYTZVHFKSOL-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.42
Rot. Bonds8

About 2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine

2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 20989901) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID20989901
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
SMILESCC(C)c1ccccc1OCCOc1ccc(Cl)cc1CCN
InChIInChI=1S/C19H24ClNO2/c1-14(2)17-5-3-4-6-19(17)23-12-11-22-18-8-7-16(20)13-15(18)9-10-21/h3-8,13-14H,9-12,21H2,1-2H3
InChIKeyIYEHYTZVHFKSOL-UHFFFAOYSA-N
XLogP4.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.42
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

5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline
CID 39438987
2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
CID 60905190
2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803297
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 114862989
2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 114530890
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535
2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369658
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78936759
4-chloro-1-nitro-2-[(2-propan-2-ylphenoxy)methyl]benzene
CID 79556511
[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 20989440

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine (CID 20989901) is 2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine is CC(C)c1ccccc1OCCOc1ccc(Cl)cc1CCN.
What is the InChIKey of 2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is IYEHYTZVHFKSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-14(2)17-5-3-4-6-19(17)23-12-11-22-18-8-7-16(20)13-15(18)9-10-21/h3-8,13-14H,9-12,21H2,1-2H3.
What are the key properties of 2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 333.86 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 20989901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).