N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline

C17H20ClNO2 — CID 54802475

IUPACN-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1NCCOc1ccccc1Cl
InChIInChI=1S/C17H20ClNO2/c1-13(2)21-17-10-6-4-8-15(17)19-11-12-20-16-9-5-3-7-14(16)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyGJNMNGNUNDNVKZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.62
Rot. Bonds7

About N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline

N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline (PubChem CID 54802475) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
PubChem CID54802475
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1NCCOc1ccccc1Cl
InChIInChI=1S/C17H20ClNO2/c1-13(2)21-17-10-6-4-8-15(17)19-11-12-20-16-9-5-3-7-14(16)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyGJNMNGNUNDNVKZ-UHFFFAOYSA-N
XLogP4.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.62
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-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802500
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809748
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline
CID 54802429
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,3-dichloroaniline
CID 54797877
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline (CID 54802475) is N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline is CC(C)Oc1ccccc1NCCOc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline?
The InChIKey is GJNMNGNUNDNVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-13(2)21-17-10-6-4-8-15(17)19-11-12-20-16-9-5-3-7-14(16)18/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline?
N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline has a molecular weight of 305.81 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 54802475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).