4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine

C12H17Cl2NO — CID 94693280

IUPAC4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine
SMILESCNC(C)(C)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-12(2,15-3)6-7-16-11-5-4-9(13)8-10(11)14/h4-5,8,15H,6-7H2,1-3H3
InChIKeyDYEOHEDOPNEPKC-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.76
Rot. Bonds5

About 4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine

4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine (PubChem CID 94693280) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine
PubChem CID94693280
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine
SMILESCNC(C)(C)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-12(2,15-3)6-7-16-11-5-4-9(13)8-10(11)14/h4-5,8,15H,6-7H2,1-3H3
InChIKeyDYEOHEDOPNEPKC-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine
CID 94684961
4-(2,4-dichlorophenoxy)-2,2-dimethylbutanethioamide
CID 65249358
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
CID 54798735
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine
CID 60695100
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylbutan-2-amine
CID 60690280
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline
CID 54796172
bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane
CID 67683107
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanenitrile
CID 82085345
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine (CID 94693280) is 4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine is CNC(C)(C)CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine?
The InChIKey is DYEOHEDOPNEPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-12(2,15-3)6-7-16-11-5-4-9(13)8-10(11)14/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine?
4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine has a molecular weight of 262.18 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 94693280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).