2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine

C12H17Cl2NO — CID 62485923

IUPAC2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-3-11(8-15-4-2)16-12-6-9(13)5-10(14)7-12/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyRCFYQJMJEQIQBW-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.76
Rot. Bonds6

About 2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine

2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine (PubChem CID 62485923) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
PubChem CID62485923
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-3-11(8-15-4-2)16-12-6-9(13)5-10(14)7-12/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyRCFYQJMJEQIQBW-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine
CID 62449737
2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62454791
N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine
CID 63498433
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine
CID 62459460
1-chloro-3-fluoro-5-pentan-3-yloxybenzene
CID 166779713
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylpentan-1-amine
CID 83046354
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine
CID 63498349
N-ethyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62486290
N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine
CID 62485042

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine (CID 62485923) is 2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine is CCNCC(CC)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine?
The InChIKey is RCFYQJMJEQIQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-11(8-15-4-2)16-12-6-9(13)5-10(14)7-12/h5-7,11,15H,3-4,8H2,1-2H3.
What are the key properties of 2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine?
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine has a molecular weight of 262.18 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine is sourced from PubChem (CID 62485923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).