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

C14H18ClNO — CID 106437029

IUPAC5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC/C(=C/Cl)COc1cccc2c1CCCC2N
InChIInChI=1S/C14H18ClNO/c1-10(8-15)9-17-14-7-3-4-11-12(14)5-2-6-13(11)16/h3-4,7-8,13H,2,5-6,9,16H2,1H3/b10-8-
InChIKeyLXKOXPCVWWMFOU-NTMALXAHSA-N
MW251.76 g/mol
LogP3.54
Rot. Bonds3

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

5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106437029) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106437029
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC/C(=C/Cl)COc1cccc2c1CCCC2N
InChIInChI=1S/C14H18ClNO/c1-10(8-15)9-17-14-7-3-4-11-12(14)5-2-6-13(11)16/h3-4,7-8,13H,2,5-6,9,16H2,1H3/b10-8-
InChIKeyLXKOXPCVWWMFOU-NTMALXAHSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide
CID 65455345
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(cyanomethyl)acetamide
CID 65455158
5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
CID 79360240
methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate
CID 79629209
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 162767640
5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454391
(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine
CID 106437189
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopentylacetamide
CID 63090820
5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454398

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106437029) is 5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is C/C(=C/Cl)COc1cccc2c1CCCC2N.
What is the InChIKey of 5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LXKOXPCVWWMFOU-NTMALXAHSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10(8-15)9-17-14-7-3-4-11-12(14)5-2-6-13(11)16/h3-4,7-8,13H,2,5-6,9,16H2,1H3/b10-8-.
What are the key properties of 5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 251.76 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106437029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).