4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine

C12H17Cl2NO — CID 82090687

IUPAC4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine
SMILESCC(N)CC(C)(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(15)7-12(2,3)16-11-5-4-9(13)6-10(11)14/h4-6,8H,7,15H2,1-3H3
InChIKeyCNWRZFJMRWHSMH-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.89
Rot. Bonds4

About 4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine

4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine (PubChem CID 82090687) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine
PubChem CID82090687
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine
SMILESCC(N)CC(C)(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(15)7-12(2,3)16-11-5-4-9(13)6-10(11)14/h4-6,8H,7,15H2,1-3H3
InChIKeyCNWRZFJMRWHSMH-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)propan-2-amine
CID 56841846
4-(2-fluorophenoxy)-4-methylpentan-2-amine
CID 82078105
[2-(2,4-dichlorophenoxy)-1,1,2,2-tetrafluoroethyl]-trimethylsilane
CID 154731418
4-(2,4-dichlorophenoxy)pentan-1-amine
CID 62461001
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene
CID 82093771
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640339
3-chloro-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 76984471
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
CID 82090673
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
1,1-bis(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-ol
CID 13326121

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine?
The IUPAC name of 4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine (CID 82090687) is 4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine is CC(N)CC(C)(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine?
The InChIKey is CNWRZFJMRWHSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(15)7-12(2,3)16-11-5-4-9(13)6-10(11)14/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine?
4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine has a molecular weight of 262.18 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine is sourced from PubChem (CID 82090687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).