7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H24ClNO — CID 106437193

IUPAC7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2ccc(OC/C(C)=C/Cl)cc21
InChIInChI=1S/C17H24ClNO/c1-3-9-19-17-6-4-5-14-7-8-15(10-16(14)17)20-12-13(2)11-18/h7-8,10-11,17,19H,3-6,9,12H2,1-2H3/b13-11+
InChIKeyQFJUBPPZYACZPB-ACCUITESSA-N
MW293.84 g/mol
LogP4.59
Rot. Bonds6

About 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106437193) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106437193
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2ccc(OC/C(C)=C/Cl)cc21
InChIInChI=1S/C17H24ClNO/c1-3-9-19-17-6-4-5-14-7-8-15(10-16(14)17)20-12-13(2)11-18/h7-8,10-11,17,19H,3-6,9,12H2,1-2H3/b13-11+
InChIKeyQFJUBPPZYACZPB-ACCUITESSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437032
7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63512491
3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512839
6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104647002
(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine
CID 106437189
6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79167134
N-cyclopropyl-2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 107684032
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012
N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 103780471
N,N-dimethyl-2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 107683897

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106437193) is 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCCc2ccc(OC/C(C)=C/Cl)cc21.
What is the InChIKey of 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QFJUBPPZYACZPB-ACCUITESSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-3-9-19-17-6-4-5-14-7-8-15(10-16(14)17)20-12-13(2)11-18/h7-8,10-11,17,19H,3-6,9,12H2,1-2H3/b13-11+.
What are the key properties of 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 293.84 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106437193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).