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

C17H24ClNO — CID 106437032

IUPAC5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2c(OC/C(C)=C/Cl)cccc21
InChIInChI=1S/C17H24ClNO/c1-3-10-19-16-8-4-7-15-14(16)6-5-9-17(15)20-12-13(2)11-18/h5-6,9,11,16,19H,3-4,7-8,10,12H2,1-2H3/b13-11+
InChIKeyDGTJFEZMTCJCOL-ACCUITESSA-N
MW293.84 g/mol
LogP4.59
Rot. Bonds6

About 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106437032) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106437032
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2c(OC/C(C)=C/Cl)cccc21
InChIInChI=1S/C17H24ClNO/c1-3-10-19-16-8-4-7-15-14(16)6-5-9-17(15)20-12-13(2)11-18/h5-6,9,11,16,19H,3-4,7-8,10,12H2,1-2H3/b13-11+
InChIKeyDGTJFEZMTCJCOL-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 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437029
5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454622
5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437193
5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106929342
N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65453675
N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455939
4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63485329
N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456133
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
N-cyclopropyl-2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 65455358
2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol
CID 114492127

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106437032) is 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCCc2c(OC/C(C)=C/Cl)cccc21.
What is the InChIKey of 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DGTJFEZMTCJCOL-ACCUITESSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-3-10-19-16-8-4-7-15-14(16)6-5-9-17(15)20-12-13(2)11-18/h5-6,9,11,16,19H,3-4,7-8,10,12H2,1-2H3/b13-11+.
What are the key properties of 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-[(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 5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106437032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).