2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine

C13H19Cl2NO — CID 62451787

IUPAC2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-4-10(8-16-9(2)3)17-12-7-5-6-11(14)13(12)15/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyJTWIEIJMTCBXJC-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.15
Rot. Bonds6

About 2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine

2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 62451787) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID62451787
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-4-10(8-16-9(2)3)17-12-7-5-6-11(14)13(12)15/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyJTWIEIJMTCBXJC-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450533
2-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62449487
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide
CID 43175295
2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 103228055
1-(1-bromoethoxy)-2,3-dichlorobenzene
CID 67903309
N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine
CID 62599040
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
CID 62486400
(2-chloro-6-pentan-3-yloxyphenyl)methanol
CID 114320524
N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
CID 46736333
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine (CID 62451787) is 2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is JTWIEIJMTCBXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-4-10(8-16-9(2)3)17-12-7-5-6-11(14)13(12)15/h5-7,9-10,16H,4,8H2,1-3H3.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine?
2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62451787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).