N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H19Cl2NO — CID 63552561

IUPACN-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1c(Cl)cccc1Oc1cccc(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-17(2,3)20-11-14-15(19)8-5-9-16(14)21-13-7-4-6-12(18)10-13/h4-10,20H,11H2,1-3H3
InChIKeyQXBJJWROFFMDDV-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.67
Rot. Bonds4

About N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63552561) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63552561
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1c(Cl)cccc1Oc1cccc(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-17(2,3)20-11-14-15(19)8-5-9-16(14)21-13-7-4-6-12(18)10-13/h4-10,20H,11H2,1-3H3
InChIKeyQXBJJWROFFMDDV-UHFFFAOYSA-N
XLogP5.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553109
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63552934
N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 113276749
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346
N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323575
N-[[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114319778
4-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]butanenitrile
CID 114319867
N-[[2-chloro-6-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319785
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine
CID 114855696

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63552561) is N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1c(Cl)cccc1Oc1cccc(Cl)c1.
What is the InChIKey of N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QXBJJWROFFMDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-17(2,3)20-11-14-15(19)8-5-9-16(14)21-13-7-4-6-12(18)10-13/h4-10,20H,11H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63552561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).