N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine

C14H19Cl2NO — CID 113276768

IUPACN-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESC=C(Cl)COc1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C14H19Cl2NO/c1-10(2)7-17-8-12-13(16)5-4-6-14(12)18-9-11(3)15/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyXEEHFFHTTHTKQC-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.22
Rot. Bonds7

About N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 113276768) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID113276768
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESC=C(Cl)COc1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C14H19Cl2NO/c1-10(2)7-17-8-12-13(16)5-4-6-14(12)18-9-11(3)15/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyXEEHFFHTTHTKQC-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 114320040
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319956
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 114319991
4-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114319981
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
5-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 114320034
[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
CID 114318588
N-[[2-[(4-bromothiophen-2-yl)methoxy]-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114319974
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 114319962
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319988

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 113276768) is N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine is C=C(Cl)COc1cccc(Cl)c1CNCC(C)C.
What is the InChIKey of N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is XEEHFFHTTHTKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-10(2)7-17-8-12-13(16)5-4-6-14(12)18-9-11(3)15/h4-6,10,17H,3,7-9H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.22 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 113276768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).