6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H17Cl2NO — CID 79167134

IUPAC6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(OCC(Cl)=CCl)ccc21
InChIInChI=1S/C14H17Cl2NO/c1-17-14-4-2-3-10-7-12(5-6-13(10)14)18-9-11(16)8-15/h5-8,14,17H,2-4,9H2,1H3
InChIKeyJLGWKVRKJABKAK-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.98
Rot. Bonds4

About 6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79167134) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79167134
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(OCC(Cl)=CCl)ccc21
InChIInChI=1S/C14H17Cl2NO/c1-17-14-4-2-3-10-7-12(5-6-13(10)14)18-9-11(16)8-15/h5-8,14,17H,2-4,9H2,1H3
InChIKeyJLGWKVRKJABKAK-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]cyclopentan-1-ol
CID 65210920
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
6-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103032754
6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63499231
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683326
N-methyl-6-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79262644
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
CID 107683344
N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114013297
ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
CID 64670120

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79167134) is 6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2cc(OCC(Cl)=CCl)ccc21.
What is the InChIKey of 6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JLGWKVRKJABKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-17-14-4-2-3-10-7-12(5-6-13(10)14)18-9-11(16)8-15/h5-8,14,17H,2-4,9H2,1H3.
What are the key properties of 6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 286.20 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79167134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).