3,5-dichloro-N-methyl-2-propan-2-yloxyaniline

C10H13Cl2NO — CID 82267076

IUPAC3,5-dichloro-N-methyl-2-propan-2-yloxyaniline
SMILESCNc1cc(Cl)cc(Cl)c1OC(C)C
InChIInChI=1S/C10H13Cl2NO/c1-6(2)14-10-8(12)4-7(11)5-9(10)13-3/h4-6,13H,1-3H3
InChIKeyKVIOLCQOUJBFAJ-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.82
Rot. Bonds3

About 3,5-dichloro-N-methyl-2-propan-2-yloxyaniline

3,5-dichloro-N-methyl-2-propan-2-yloxyaniline (PubChem CID 82267076) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-2-propan-2-yloxyaniline
PubChem CID82267076
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name3,5-dichloro-N-methyl-2-propan-2-yloxyaniline
SMILESCNc1cc(Cl)cc(Cl)c1OC(C)C
InChIInChI=1S/C10H13Cl2NO/c1-6(2)14-10-8(12)4-7(11)5-9(10)13-3/h4-6,13H,1-3H3
InChIKeyKVIOLCQOUJBFAJ-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
CID 125116033
3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate
CID 82552200
(E)-4-(3,5-dichloro-2-propan-2-yloxyphenyl)-4-oxobut-2-enoic acid
CID 82267062
3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline
CID 82552173
N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine
CID 175035603
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667
2,4-dichloro-N-methylaniline
CID 2800935
3,5-dichloro-N-ethyl-2-methoxyaniline
CID 82267013
2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline
CID 86152824

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-2-propan-2-yloxyaniline?
The IUPAC name of 3,5-dichloro-N-methyl-2-propan-2-yloxyaniline (CID 82267076) is 3,5-dichloro-N-methyl-2-propan-2-yloxyaniline.
What is the SMILES notation for 3,5-dichloro-N-methyl-2-propan-2-yloxyaniline?
The canonical SMILES for 3,5-dichloro-N-methyl-2-propan-2-yloxyaniline is CNc1cc(Cl)cc(Cl)c1OC(C)C.
What is the InChIKey of 3,5-dichloro-N-methyl-2-propan-2-yloxyaniline?
The InChIKey is KVIOLCQOUJBFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-6(2)14-10-8(12)4-7(11)5-9(10)13-3/h4-6,13H,1-3H3.
What are the key properties of 3,5-dichloro-N-methyl-2-propan-2-yloxyaniline?
3,5-dichloro-N-methyl-2-propan-2-yloxyaniline has a molecular weight of 234.13 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-2-propan-2-yloxyaniline is sourced from PubChem (CID 82267076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).