N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine

C14H21Cl2NO2 — CID 2935622

IUPACN-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine
SMILESCCC(C)NCCOCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO2/c1-3-11(2)17-6-7-18-8-9-19-14-10-12(15)4-5-13(14)16/h4-5,10-11,17H,3,6-9H2,1-2H3
InChIKeyFTQSZCYIXZUKBK-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.78
Rot. Bonds9

About N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine

N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine (PubChem CID 2935622) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine
PubChem CID2935622
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC NameN-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine
SMILESCCC(C)NCCOCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO2/c1-3-11(2)17-6-7-18-8-9-19-14-10-12(15)4-5-13(14)16/h4-5,10-11,17H,3,6-9H2,1-2H3
InChIKeyFTQSZCYIXZUKBK-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.78
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

(2S)-N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2182170
N-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl]butan-2-amine;oxalic acid
CID 2936079
N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine;oxalic acid
CID 2934611
(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2184444
N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
CID 2935926
N-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935653
N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935222
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
(2R)-N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine
CID 2183230
N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine
CID 2934297
N-[3-(2-tert-butyl-4-chlorophenoxy)propyl]butan-2-amine
CID 2935333
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine?
The IUPAC name of N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine (CID 2935622) is N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine.
What is the SMILES notation for N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine?
The canonical SMILES for N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine is CCC(C)NCCOCCOc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine?
The InChIKey is FTQSZCYIXZUKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2/c1-3-11(2)17-6-7-18-8-9-19-14-10-12(15)4-5-13(14)16/h4-5,10-11,17H,3,6-9H2,1-2H3.
What are the key properties of N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine?
N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine has a molecular weight of 306.23 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine is sourced from PubChem (CID 2935622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).